SCHEMBL436328

SCHEMBL436328

Clc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
LMNA P02545 3/20 0.47
CYP2A6 P11509 1/20 0.47
AHR P35869 2/20 0.46
ALOX5 P09917 1/20 0.42
MAOB P27338 1/20 0.39
KIF11 P52732 1/20 0.37
IDO1 P14902 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NOTUM Q6P988 2/20 0.34
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
Ethylamine SCHEMBL27848173 0.86 MAOB (0.45) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL17200849 0.84 ALDH1A1 (0.35) TDP1TP53
SCHEMBL208526 0.84 ALDH1A1 (0.35) TDP1TP53
SCHEMBL28432241 0.81 MAOA (0.50) CYP1A2LMNACYP2A6AHRMAOB
SCHEMBL1502 0.81
Water SCHEMBL28104117 0.81
SCHEMBL3952742 0.80 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL196583 0.80 ALDH1A1 (0.33)
SCHEMBL11165087 0.80 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL28215 0.80 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-115677600-A 2, 3-dihydroquinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2023-02-03 CN claimed
CN-110325508-A The inhibitor of the N- terminal domains of androgen receptor 加利福尼亚大学董事会 2019-10-11 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
WO-2018136792-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-26 WO claimed
CN-108191666-A Chloro-carbonic acid ethylene alcohol ester substitute and preparation method thereof 艾希尔(深圳)药物研发有限公司 2018-06-22 CN claimed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
CN-105283177-A Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A ISTITUTO EUROP DI ONCOLOGIA S R L 2016-01-27 CN claimed
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-11-05 US claimed
US-5840974-A Metalloproteinase inhibitors BRITISCH BIOTECH PHARMACEUTICALS, LTD. (GB) 1998-11-24 US claimed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US claimed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO claimed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO claimed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO claimed
EP-0165775-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-27 EP claimed
EP-0005911-B1 ANALGESIC 6-ACYLAMINOTETRAHYDRO-1,3,5-TRIAZINE-2,4-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-17 EP claimed
US-4254122-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS OF PROSTAGLANDIN SYNTHETASE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-03-03 US claimed
EP-0005911-A1 Analgesic 6-acylaminotetrahydro-1,3,5-triazine-2,4-dione derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-12-12 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 (2 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CYP1A2 878/4885LMNA 1298/4885CYP2A6 1133/4885
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A CYP1A2 881/4885LMNA 3215/4885CYP2A6 1370/4885

“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.