SCHEMBL3457904

SCHEMBL3457904

O=C(O)C1C=CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACE P12821 3/20 0.38
EDNRA P25101 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
PTPN7 P35236 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ACP3 P15309 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CAMK2A Q9UQM7 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
SCHEMBL31141576 1.00 TSHR (0.40) TSHRNPSR1ACEEDNRAGAA
SCHEMBL4504652 0.84 HDAC4 (0.35) TSHRNPSR1ACEGAAMAPT
SCHEMBL10732203 0.84 HDAC4 (0.35) TSHRNPSR1GAAMAPTHDAC4
SCHEMBL3072198 0.84 ALDH1A1 (0.44) TSHRNPSR1GAAMAPTHDAC4
SCHEMBL8180890 0.81 TSHR (0.42) TSHRNPSR1ACEEDNRAGAA
SCHEMBL6034027 0.81 MAPT (0.43) TSHRMAPTHDAC4HDAC7HDAC5
SCHEMBL10824801 0.78 MME (0.40) TSHRACEGAAMAPTHDAC4
SCHEMBL10726746 0.78 SSTR4 (0.48) GAAMAPTHDAC4HDAC7HDAC5
SCHEMBL10833761 0.76 POLB (0.39) MAPTHDAC4HDAC7HDAC5CYP2C19
SCHEMBL8917182 0.75 EDNRA (0.46) TSHRNPSR1EDNRAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60161905-A None JP disclosed
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-09-23 US disclosed
WO-2024210060-A1 REDUCTION METHOD 国立大学法人北海道大学 2024-10-10 WO disclosed
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
US-20240092708-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-21 US disclosed
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-01-09 US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-03-24 US disclosed
US-20100168344-A1 POLYESTER BASED BLEND AND PACKAGING ARTICLE MADE THEREFROM FAR EASTERN NEW CENTURY CORPORATION (TW) 2010-07-01 US disclosed
EP-1439058-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2009-12-23 EP disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP disclosed
US-5328613-A High temperature polymers formed by melt mixing with finely divided glass and leaching the intercommunicating glass CORNING INCORPORATED (US) 1994-07-12 US disclosed
EP-0548492-A1 Polymer membranes for separation processes Corning Incorporated (US) 1993-06-30 EP disclosed
US-5183607-A Semipermeable microporous bodies: melt-mixing thermoplastic polymer and leachable glass particles; shaping; leaching without disrupting continuous polymer network CORNING INCORPORATED 1993-02-02 US disclosed
EP-0363866-A2 Higher carboxylic acid triester of adamantane triol and lubricating oil containing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-18 EP disclosed
EP-0317348-A1 Improved lubricant compositions for low-temperature internal combustion engines EXXON CHEMICAL PATENTS INC. (US) 1989-05-24 EP disclosed
US-4657581-A AMIDE COMPOUNDS, OF DI OR TETRAHYDRO-1 NAPHTHOIC ACID SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1987-04-14 US disclosed
JP-S60161905-A HERBICIDE SANYO CHEM IND LTD 1985-08-23 JP disclosed
EP-0109815-A1 Improvements in and relating to substituted tetrahydrona phthalenes ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-3968142-A ANALGESIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-07-06 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 (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-20240092708-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds NAT1, AADAC, ARNT TSHR 3203/4885NPSR1 3471/4885ACE 976/4885
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT TSHR 3203/4885NPSR1 3471/4885ACE 976/4885
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 TSHR 3151/4885NPSR1 2569/4885ACE 2272/4885
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds NAT1, AADAC, ARNT TSHR 3203/4885NPSR1 3471/4885ACE 976/4885
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT TSHR 3203/4885NPSR1 3471/4885ACE 976/4885

“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.