SCHEMBL799844

SCHEMBL799844

CC(C)(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
CYP3A4 P08684 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 3/20 0.48
HSD17B10 Q99714 2/20 0.42
NR1H4 Q96RI1 3/20 0.41
CASR P41180 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACLY P53396 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18243045 0.83 TSHR (0.60) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL3654239 0.83 TSHR (0.60) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL13403326 0.82 MAPK1 (0.46) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL9239974 0.81 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL15926256 0.81 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL16579369 0.81 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL31740316 0.81 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL16211981 0.81 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL799894 0.80 TP53 (0.48) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL7913316 0.79 TSHR (0.61) TSHRCYP3A4TDP1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989611-A HALOGENATED HYDROCARBON CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-11-02 US claimed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-3989611-A HALOGENATED HYDROCARBON CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-11-02 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 (14 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-20070066599-A1 New compounds SULT2A1, GPR119, STS TSHR 1178/4885CYP3A4 1195/4885TDP1 4016/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 TSHR 503/4885CYP3A4 1886/4885TDP1 4721/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 TSHR 4420/4885CYP3A4 4785/4885TDP1 1645/4885
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 TSHR 1824/4885CYP3A4 1108/4885TDP1 3111/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885CYP3A4 2243/4885TDP1 2380/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A TSHR 216/4885CYP3A4 284/4885TDP1 1728/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885CYP3A4 3885/4885TDP1 2224/4885
US-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 TSHR 1195/4885CYP3A4 273/4885TDP1 3899/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 TSHR 692/4885CYP3A4 1798/4885TDP1 2968/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 TSHR 1299/4885CYP3A4 976/4885TDP1 4117/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885CYP3A4 2243/4885TDP1 2380/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 TSHR 4360/4885CYP3A4 4793/4885TDP1 727/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP TSHR 4739/4885CYP3A4 4490/4885TDP1 1695/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TSHR 3550/4885CYP3A4 4706/4885TDP1 1450/4885

“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.