SCHEMBL155336

SCHEMBL155336

[C]1C=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL1289715 0.75
SCHEMBL20511816 0.66 PARP1 (0.46) PARP1CA1CA2TSHR
SCHEMBL20511815 0.66 PARP1 (0.46) PARP1CA1CA2TSHR
SCHEMBL31586332 0.66 TRPA1 (0.50) PARP1CA1CA2TSHR
SCHEMBL283346 0.66 TRPA1 (0.50) PARP1CA1CA2TSHR
SCHEMBL3101821 0.65 TRPA1 (0.41) PARP1
SCHEMBL29539 0.65
SCHEMBL20528826 0.63 TRPA1 (0.34) PARP1TSHR
SCHEMBL8343541 0.63 TRPA1 (0.34) PARP1TSHR
Indene SCHEMBL8617 0.62

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 1460 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781162-A1 EP4 INHIBITORS AND USE THEREOF Arrys Therapeutics, Inc. (US) 2021-02-24 EP claimed
CN-108290863-B Substituted aminotriazoles useful as human chitinase inhibitors 昂科艾伦迪治疗法公司 2020-05-05 CN claimed
WO-2019204257-A1 EP4 INHIBITORS AND USE THEREOF Arrys Therapeutics, Inc. (US) 2019-10-24 WO claimed
EP-3177716-A1 PEPTIDES USEFUL FOR TREATING CANCER Warenius, Hilmar M (GB) 2017-06-14 EP claimed
WO-2017049402-A1 MULTI-FUNCTIONAL ANTI-MICROBIAL POLYMERS AND COMPOSITIONS CONTAINING SAME GHANDI KHASHAYAR (CA) 2017-03-30 WO claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
WO-2016020437-A1 PEPTIDES USEFUL FOR TREATING CANCER WARENIUS HILMAR M (GB) 2016-02-11 WO claimed
EP-2935217-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2015-10-28 EP claimed
WO-2014201544-A1 ANTIMICROBIAL POLYMER INCORPORATING A QUATERNARY AMMONIUM GROUP CHEMGREEN INNOVATION INC. (CA) 2014-12-24 WO claimed
WO-2014100818-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-06-26 WO claimed
EP-0931074-B1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP claimed
US-6451937-B1 BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST SHELL OIL COMPANY 2002-09-17 US claimed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO claimed
CN-1076367-C Blends of ultraviolet absorbers and polyesters EASTMAN CHEM CO (US) 2001-12-19 CN claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
CN-1250472-A Photochemical superoxide generators PROCTER & GAMBLE (US) 2000-04-12 CN claimed
CN-1250471-A Photochemical singlet oxygen generators having enhanced singlet oxygen yields PROCTER & GAMBLE (US) 2000-04-12 CN claimed
CN-1046273-C 3-aryl-4-alkyl and 4,5-dialkyl-4H-1,2,4-triazoles useful as memory enhancers MARRELL DOW PHARMACEUTICALS IN (US) 1999-11-10 CN claimed
CN-1189176-A Blends of UV absorbers and polyesters EASTMAN CHEM CO (US) 1998-07-29 CN claimed
CN-1134147-A 3-aryl-4-alkyl and 4,5-dialkyl-4H-1,2,4-triazoles useful as memory enhancers MERRELL DOW PHARMA (US) 1996-10-23 CN claimed

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

For each of this compound's patents that has machine-readable text (1 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-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 PARP1 1733/4885CA1 2185/4885CA2 2635/4885

“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.