SCHEMBL233323

SCHEMBL233323

Cc1cc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 1/20 0.56
ESR2 Q92731 1/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ENPP2 Q13822 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRB P10828 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
ITK Q08881 1/20 0.47
CHEK2 O96017 1/20 0.47
GPR183 P32249 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL30339870 1.00 CASP3 (0.58) CASP3SENP8SENP7SENP6TDP1
SCHEMBL28555669 0.85 CYP2A6 (0.50) CASP3SENP8SENP7SENP6TDP1
SCHEMBL1105989 0.85 HRH3 (0.59) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL10053488 0.84 CHEK2 (0.49) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL9372548 0.83 CASP3 (0.42) CASP3SENP8SENP7SENP6TDP1
SCHEMBL18569112 0.81 BRD4 (0.54) CASP3SENP8SENP7SENP6TDP1
SCHEMBL3922415 0.81 CASP3 (0.54) CASP3SENP8SENP7SENP6TDP1
SCHEMBL30460215 0.81 KDM4E (0.61) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5881610 0.81 KDM4E (0.61) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31721323 0.79 CASP3 (0.60) CASP3SENP8SENP7SENP6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4376818-B1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2025-06-18 EP disclosed
US-12209084-B2 Serotonin 5-HT2B inhibitory compounds ZOETIS SERVICES LLC (US) 2025-01-28 US disclosed
WO-2024179405-A1 CLASS OF CINNAMAMIDE DERIVATIVES AND APPLICATION THEREOF 上海交通大学 2024-09-06 WO disclosed
CN-118546081-A Cinnamide derivative and application thereof 上海交通大学 2024-08-27 CN disclosed
EP-4376818-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS Zoetis Services LLC (US) 2024-06-05 EP disclosed
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-20230071039-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC 2023-03-09 US disclosed
EP-0705832-B1 Serotonergic modulators LILLY CO ELI (GB) 2003-08-13 EP disclosed
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5563147-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0705832-A1 Serotonergic modulators LILLY INDUSTRIES LIMITED (GB) 1996-04-10 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
EP-0409027-A1 Indole derivatives, process for their preparation and their use in pharmaceuticals BAYER AG (DE) 1991-01-23 EP disclosed
US-4493843-A Indole and indoline carboxylic acid compounds and method of use MAY & BAKER LIMITED (GB) 1985-01-15 US disclosed
EP-0042298-B1 INDOLE AND INDOLINE DERIVATIVES MAY & BAKER LIMITED (GB) 1984-09-12 EP disclosed
EP-0042298-A1 Indole and indoline derivatives MAY & BAKER LIMITED (GB) 1981-12-23 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 (4 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-20230071039-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS HTR2B, HTR1B, HTR1A CASP3 3732/4885SENP8 4257/4885SENP7 2971/4885
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CASP3 2656/4885SENP8 4653/4885SENP7 4512/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CASP3 3451/4885SENP8 4750/4885SENP7 4722/4885
US-12209084-B2 Serotonin 5-HT2B inhibitory compounds HTR2B, HTR1B, HTR1A CASP3 3732/4885SENP8 4257/4885SENP7 2971/4885

“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.