SCHEMBL7434377

SCHEMBL7434377

Cc1ccc(CCI)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2A6 P11509 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IDO1 P14902 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
ACHE P22303 1/20 0.47
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
IGF1R P08069 1/20 0.45
AGXT P21549 2/20 0.44
CHKA P35790 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7547399 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL7376337 0.87 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL2680220 0.85 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL7548931 0.85 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL17403329 0.85 IGF1R (0.53) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL11288839 0.84 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL143961 0.84 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL10685072 0.84 ALDH1A1 (0.69) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL11395796 0.83 IGF1R (0.52) CYP1A2CYP2A6TAAR1ALOX15ALDH1A1
SCHEMBL16744188 0.81 CYP1A2 (0.46) CYP1A2CYP2A6TAAR1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100452-A2 HETEROCYCLIC COMPOUNDS AS STING AGONISTS LEGOCHEM BIOSCIENCES, INC. (KR) 2024-05-16 WO disclosed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-9637462-B2 Process for the preparation of N-iodoamides TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-05-02 US disclosed
US-20160272598-A1 PROCESS FOR THE PREPARATION OF N-IODOAMIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2016-09-22 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-9193935-B2 Compounds capable of releasing fragrant compounds GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 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-20160272598-A1 PROCESS FOR THE PREPARATION OF N-IODOAMIDES INMT, NPM1, B2M CYP1A2 498/4885CYP2A6 1366/4885TAAR1 1083/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 CYP1A2 4762/4885CYP2A6 4354/4885TAAR1 3037/4885
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 CYP1A2 3337/4885CYP2A6 4280/4885TAAR1 1428/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 CYP1A2 527/4885CYP2A6 428/4885TAAR1 1430/4885
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS NISCH, COASY, KLK7 CYP1A2 1397/4885CYP2A6 1550/4885TAAR1 4559/4885

“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.