SCHEMBL1104677

SCHEMBL1104677

CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 2/20 0.52
GABRA1 P14867 1/20 0.52
CES2 O00748 1/20 0.46
KIF11 P52732 1/20 0.45
POLB P06746 1/20 0.42
IDO1 P14902 2/20 0.41
MAPT P10636 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
XPO1 O14980 1/20 0.38
AR P10275 1/20 0.37
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TACR1 P25103 1/20 0.36
GABRA2 P47869 1/20 0.36
HTR1D P28221 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22861023 1.00 GABRB2 (0.52) GABRB2GABRA1CES2KIF11POLB
SCHEMBL15077166 0.92 GABRB2 (0.46) GABRB2GABRA1CES2KIF11POLB
SCHEMBL1754077 0.89 GABRA1 (0.44) GABRB2GABRA1CES2KIF11POLB
SCHEMBL21715549 0.89 GABRA1 (0.44) GABRB2GABRA1CES2KIF11POLB
SCHEMBL3439602 0.89 RAPGEF4 (0.48) GABRB2GABRA1CES2KIF11POLB
SCHEMBL18077879 0.87 GABRB2 (0.42) GABRB2GABRA1CES2KIF11POLB
SCHEMBL14200010 0.87 MAPK1 (0.46) GABRB2GABRA1CES2KIF11POLB
SCHEMBL21233217 0.87 KIF11 (0.42) GABRB2GABRA1CES2KIF11POLB
SCHEMBL18353568 0.87 GABRA1 (0.76) GABRB2GABRA1CES2KIF11IDO1
SCHEMBL1104681 0.87 NOTUM (0.47) GABRB2GABRA1CES2KIF11POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239793-A1 PROCESS FOR PREPARING PEXIDARTINIB JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2024-07-18 US disclosed
US-20240239793-A1 PROCESS FOR PREPARING PEXIDARTINIB JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2024-07-18 US disclosed
EP-3681928-B1 PROCESS OF MANUFACTURING POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-05-01 EP disclosed
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-11873426-B2 Curable composition, cured product, optical member, lens, and compound FUJIFILM CORPORATION (JP) 2024-01-16 US disclosed
US-11873426-B2 Curable composition, cured product, optical member, lens, and compound FUJIFILM CORPORATION (JP) 2024-01-16 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11832510-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-28 US disclosed
US-20230357632-A1 IONIC LIQUID PEROVSKITE DEVICES CUBICPV INC. 2023-11-09 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRB2 4164/4885GABRA1 4260/4885CES2 58/4885
US-11832510-B2 Organic electroluminescent materials and devices OSBP, OCIAD2, OCIAD1 GABRB2 3585/4885GABRA1 4296/4885CES2 110/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A GABRB2 386/4885GABRA1 500/4885CES2 454/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRB2 4164/4885GABRA1 4260/4885CES2 58/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 GABRB2 1115/4885GABRA1 659/4885CES2 854/4885
US-11912822-B2 Process of manufacturing polyols MRPL21, RER1, PCBP1 GABRB2 2107/4885GABRA1 1584/4885CES2 906/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GABRB2 435/4885GABRA1 1294/4885CES2 645/4885
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation TNNC1, TNNI3, PYGM GABRB2 690/4885GABRA1 1541/4885CES2 1283/4885
US-11873426-B2 Curable composition, cured product, optical member, lens, and compound RB1, CCNO, SPOP GABRB2 2862/4885GABRA1 2189/4885CES2 4119/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS GABRB2 840/4885GABRA1 1992/4885CES2 900/4885
US-20240239793-A1 PROCESS FOR PREPARING PEXIDARTINIB F9, FLT3, F12 GABRB2 3626/4885GABRA1 2629/4885CES2 4782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.