SCHEMBL97761

SCHEMBL97761

O=Cc1cccc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.57
IMPDH2 P12268 1/20 0.57
AHR P35869 1/20 0.50
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28168668 0.98 CYP2A6 (0.55) CYP2A6IMPDH2AHRTUBB4ATUBB
Iodoform SCHEMBL28508578 0.93 CYP2A6 (0.50) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL10923774 0.83 AHR (0.50) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL18420127 0.81 TUBB4A (0.45) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL12402939 0.81 TUBB4A (0.45) CYP2A6IMPDH2AHRTUBB4ATUBB
Valine SCHEMBL5651474 0.80 SLC7A5 (0.40) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL5437029 0.79 AHR (0.50) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL8051282 0.79 AHR (0.50) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL22925047 0.79 AHR (0.50) CYP2A6IMPDH2AHRTUBB4ATUBB
SCHEMBL10720454 0.79 AHR (0.46) CYP2A6IMPDH2AHRTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117723688-B Pretreatment method and detection method for indole substances in aquatic products 浙江省食品药品检验研究院 2026-05-12 CN claimed
EP-4709401-A1 ORAL DELIVERY OF PLANT DERIVED VESICLES AND USES THEREOF Board of Regents, The University of Texas System (US) 2026-03-18 EP claimed
EP-4704837-A2 METHODS FOR USING BACTERIA AND HOST/MICROBIOTA-DERIVED METABOLITES FOR DIAGNOSIS AND TREATMENT OF ENDOMETRIOSIS Baylor College of Medicine (US) 2026-03-11 EP claimed
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
CN-119780269-A Method for discovering cough relieving and phlegm eliminating quality markers of Kening granules and quality markers 贵州大隆药业有限责任公司 2025-04-08 CN claimed
CN-118549543-B Multicomponent foreign matter for detecting authenticity of betel nut honey as well as acquisition method and application thereof 中国农业科学院蜜蜂研究所 2025-01-24 CN claimed
WO-2024233935-A1 ORAL DELIVERY OF PLANT DERIVED VESICLES AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-14 WO claimed
WO-2024233382-A2 METHODS FOR USING BACTERIA AND HOST/MICROBIOTA-DERIVED METABOLITES FOR DIAGNOSIS AND TREATMENT OF ENDOMETRIOSIS BAYLOR COLLEGE OF MEDICINE (US) 2024-11-14 WO claimed
WO-2024190663-A1 BIOMARKER AND USE THEREOF 株式会社明治 2024-09-19 WO claimed
CN-118549543-A Multicomponent foreign matter for detecting authenticity of betel nut honey as well as acquisition method and application thereof 中国农业科学院蜜蜂研究所 2024-08-27 CN claimed
CN-102351774-B Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2014-03-26 CN claimed
CN-102351774-A Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2012-02-15 CN claimed
CN-101245045-A Process for synthesizing indole-4-methanal UNIV SOUTHEAST (CN) 2008-08-20 CN claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
EP-0395528-B1 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1995-07-05 EP claimed
EP-0395528-A2 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1990-10-31 EP claimed
EP-0150139-B1 INDOLE-ETHYLPHENOL DERIVATIVES, THEIR SALTS, PROCESS FOR THEIR PEPARATION, THEIR USES AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1988-05-18 EP claimed
EP-0150139-A2 Indole-ethylphenol derivatives, their salts, process for their peparation, their uses as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1985-07-31 EP 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CYP2A6 2616/4885IMPDH2 3126/4885AHR 3382/4885

“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.