SCHEMBL1105989

SCHEMBL1105989

Cc1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
CYP2A6 P11509 1/20 0.52
KEAP1 Q14145 1/20 0.52
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGS2 P35354 1/20 0.51
MAPT P10636 2/20 0.50
PIN1 Q13526 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
AXL P30530 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL5424831 0.89 KDM4E (0.55) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL233323 0.85 CASP3 (0.58) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL30339870 0.85 CASP3 (0.58) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL13267581 0.85 MAOB (0.55) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL3710973 0.84 MMP2 (0.60) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL9373708 0.83 MAOB (0.50) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL18966841 0.82 KMT2A (0.57) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL18966724 0.82 ALDH1A1 (0.56) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL25139676 0.81 KDM4E (0.51) HRH3MAOBMAOAALDH1A1KDM4E
SCHEMBL19058581 0.81 MAOA (0.57) MAOBMAOAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612412-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-12202829-B2 Heterocyclic compound FIMECS, INC. (JP) 2025-01-21 US disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
US-11945830-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2024-04-02 US disclosed
EP-4298103-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS Enanta Pharmaceuticals, Inc. (US) 2024-01-03 EP disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
CN-117043166-A Antiviral heterocyclic compounds 英安塔制药有限公司 2023-11-10 CN disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US disclosed
EP-1149072-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
EP-1149097-A2 PYRIDOBENZODIAZEPINE AND PYRIDOBENZOXAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 EP disclosed
EP-1149104-A2 PYRROLOBENZODIAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 EP disclosed
WO-2000046225-A2 PYRIDOBENZODIAZEPINE AND PYRIDOBENZOXAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
WO-2000046228-A2 PYRROLOBENZODIAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 WO disclosed
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HRH3 204/4885MAOB 734/4885MAOA 1585/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HRH3 4257/4885MAOB 2841/4885MAOA 2773/4885
US-12612412-B2 Antiviral heterocyclic compounds ZC3HAV1, NHERF1, HM13 HRH3 436/4885MAOB 1038/4885MAOA 1811/4885
US-12202829-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 HRH3 4471/4885MAOB 1673/4885MAOA 1461/4885
US-11945830-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 HRH3 74/4885MAOB 957/4885MAOA 1573/4885

“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.