SCHEMBL313567

SCHEMBL313567

C#Cc1cc2ccccc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 2/20 0.46
HPRT1 P00492 3/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 2/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP2A6 P11509 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL31587957 1.00 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL15797402 0.79 HSD17B10 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL29976877 0.78 CYP2A6 (0.41) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL1933777 0.78 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL31638375 0.78 CA1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL21121993 0.78 CA1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL17530125 0.77 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL151389 0.77 NCOA3 (0.65) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL31588629 0.77 NCOA3 (0.65) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL1920403 0.77 POLB (0.47) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-118515716-A NNN-pyridine-quinoline cobalt complex, preparation method and catalytic alkyne hydrosilylation reaction 石河子大学 2024-08-20 CN claimed
CN-116396313-A Alkenyl borate, and preparation method and application thereof 中山大学 2023-07-07 CN claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-11027260-B2 Low pressure nanowire membrane for catalytic reactions and methods of making and using the same UCHICAGO ARGONNE, LLC (US) 2021-06-08 US claimed
US-20200254426-A1 LOW PRESSURE NANOWIRE MEMBRANE FOR CATALYTIC REACTIONS AND METHODS OF MAKING AND USING THE SAME UCHICAGO ARGONNE, LLC 2020-08-13 US claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
US-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-05-28 US claimed
US-20180346490-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-12-06 US claimed
WO-2016207910-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-29 WO claimed
US-9340575-B2 Agonists and antagonists of the urotensinergic system INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2016-05-17 US claimed
EP-2729184-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM Institut National de la Recherche Scientifique (CA) 2014-05-14 EP claimed
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-04-24 US claimed
WO-2012149644-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2012-11-08 WO claimed
US-20250189532-A1 1,6-DIYNE COMPOUND, ITS PREPARATION METHOD, AND PRODUCTS OBTAINED USING 1,6-DIYNE COMPOUND AS RAW MATERIAL AND THEIR APPLICATIONS FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (CN) 2025-06-12 US disclosed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN disclosed
CN-116730882-B Structure of 1, 6-diyne compound and application thereof 中国科学院福建物质结构研究所 2025-05-13 CN disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO disclosed
WO-1999008676-A1 COMPOSITIONS CONTAINING BERGAMOTTIN FOR INCREASING THE ORAL BIOAVAILABILITY OF PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-02-25 WO disclosed
WO-1998017667-A1 6',7'-DIHYDROXYBERGAMOTTIN, A CYTOCHROME P450 IHNIBITOR IN GRAPEFRUIT JUICE WAYNE STATE UNIVERSITY (US) 1998-04-30 WO 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-20180346490-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY CNOT7, CDYL, CRY1 TRPM4 270/4885ALDH1A1 3195/4885HSD17B10 3286/4885
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT TRPM4 2679/4885ALDH1A1 988/4885HSD17B10 1085/4885
US-20250189532-A1 1,6-DIYNE COMPOUND, ITS PREPARATION METHOD, AND PRODUCTS OBTAINED USING 1,6-DIYNE COMPOUND AS RAW MATERIAL AND THEIR APPLICATIONS HAO2, HAO1, TH TRPM4 1509/4885ALDH1A1 1188/4885HSD17B10 907/4885
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM UTS2R, SCTR, PLAUR TRPM4 251/4885ALDH1A1 4050/4885HSD17B10 4411/4885
US-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability CNOT7, CDYL, CRY1 TRPM4 270/4885ALDH1A1 3195/4885HSD17B10 3286/4885

“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.