SCHEMBL84476

SCHEMBL84476

CC(C)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
PTGS1 P23219 2/20 0.43
TRPA1 O75762 1/20 0.43
CACNA1C Q13936 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
PDPK1 O15530 1/20 0.39
RNASEH1 O60930 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
MME P08473 1/20 0.38
TYR P14679 2/20 0.38
EIF4A3 P38919 1/20 0.37
KIF11 P52732 1/20 0.36
APP P05067 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
SCHEMBL16105634 0.84 CES2 (0.44) LMNACES2CES1PTGS1HIF1A
SCHEMBL12263203 0.84 AKR1C3 (0.51) LMNAPTGS1HIF1AAKR1C3AKR1C2
SCHEMBL12570860 0.81 AKR1C3 (0.45) AKR1C3AKR1C2KIF11APP
SCHEMBL28193191 0.81 CES2 (0.45) CES2CES1PTGS1PDPK1AKR1C3
SCHEMBL24846696 0.81 PDPK1 (0.37) LMNACES2CES1PTGS1TRPA1
SCHEMBL17553267 0.80 CES2 (0.41) LMNACES2CES1PTGS1HIF1A
SCHEMBL84446 0.80 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL2001014 0.80 CES2 (0.50) LMNACES2CES1PTGS1HIF1A
SCHEMBL1585297 0.80 ADRB2 (0.50) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL23422374 0.80 CES2 (0.41) LMNACES2CES1PTGS1HIF1A

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 1020 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
WO-2024106914-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
WO-2006012504-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS DAIAMED, INC. (US) 2006-02-02 WO disclosed
WO-2003101382-A2 COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR MERCK & CO., INC. (US) 2003-12-11 WO disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO 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 (5 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-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL LMNA 1982/4885CES2 4800/4885CES1 3510/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP LMNA 1340/4885CES2 4117/4885CES1 3640/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 LMNA 776/4885CES2 1735/4885CES1 747/4885
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 LMNA 2618/4885CES2 2765/4885CES1 257/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LMNA 320/4885CES2 145/4885CES1 16/4885

“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.