SCHEMBL1009581

SCHEMBL1009581

Cc1ccccc1[CH]c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
ACHE P22303 1/20 0.43
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TTR P02766 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
TRPA1 O75762 2/20 0.38
NFE2L2 Q16236 2/20 0.38
CHAT P28329 1/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3301817 0.84 ALDH1A1 (0.41) TSHRALDH1A1ACHERAB9AKDM4E
SCHEMBL2037821 0.84 ALDH1A1 (0.62) TSHRALDH1A1ACHERAB9AKDM4E
SCHEMBL8416900 0.81 ALDH1A1 (0.45) TSHRALDH1A1ALOX5CYP1A2TRPA1
SCHEMBL2094957 0.81 TP53 (0.50) TSHRALDH1A1ACHERAB9AKDM4E
SCHEMBL1128128 0.78 RAB9A (0.66) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL16105782 0.78 RAB9A (0.66) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL1128126 0.78 RAB9A (0.66) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL3301743 0.78 NFE2L2 (0.45) ALDH1A1KDM4ETTRALOX5PTGS1
SCHEMBL1569034 0.78 TSHR (0.41) TSHRALDH1A1ACHERAB9AKDM4E
SCHEMBL23458029 0.75 MAOB (0.61) TSHRALDH1A1RAB9AKDM4EAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US claimed
EP-0299402-B1 LHRH ANTAGONISTS, THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF ASTA Medica Aktiengesellschaft (DE) 1993-06-09 EP claimed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US claimed
US-4800191-A LUTEINIZING HORMONE RELEASING HORMONE, PEPTIDES ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE 1989-01-24 US claimed
EP-3578566-B1 BIOCIDAL PEPTIDE AND PREPARATION BASED THEREON VERTA RES PRODUCTION COMPANY LTD (RU) 2023-07-19 EP disclosed
CN-111051439-B Xanthene-based compound and photosensitive resin composition comprising the same 株式会社LG化学 2021-11-16 CN disclosed
CN-110337467-B Method for preparing colorant composition and colorant composition prepared thereby 株式会社LG化学 2021-08-27 CN disclosed
CN-107743487-B Xanthene compound and photosensitive resin composition containing same 株式会社LG化学 2021-08-20 CN disclosed
CN-113228318-A Thermoelectric conversion material and thermoelectric conversion element using same 东洋油墨SC控股株式会社 2021-08-06 CN disclosed
US-11059860-B2 Biocidal peptide and preparation based thereon VERTA RESEARCH-PRODUCTION COMPANY LTD (RU) 2021-07-13 US disclosed
WO-1992013883-A1 LHRH ANTAGONISTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-08-20 WO disclosed
WO-1992000996-A1 DERIVATIVES OF PITUITARY POSTERIOR LOBE HORMONES FERRING AB (SE) 1992-01-23 WO disclosed
EP-0450461-A2 LHRH Analogs The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP disclosed
EP-0450480-A2 Somatostatin Analogues The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP disclosed
EP-0298590-A1 Halogenated esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-11 EP disclosed
US-4766164-A COPOLYESTER, POLYVINYLPYRROLIDONE, GUANIDINE STABILIZER, PHOSPHORUS STABILIZER AND DIPHENYLAMINE DEUTSCHE BANK AG, NEW YORK BRANCH 1988-08-23 US disclosed
US-4520148-A BLOCK COPOLYMER OF POLYESTER AND POLYESTERETHER SEGMENTS GAF CORPORATION (US) 1985-05-28 US 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 (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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 TSHR 3065/4885ALDH1A1 3972/4885ACHE 356/4885

“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.