SCHEMBL791697

SCHEMBL791697

COCCc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2A6 P11509 2/20 0.55
SIGMAR1 Q99720 3/20 0.53
HRH3 Q9Y5N1 3/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A4 P31645 1/20 0.44
CETP P11597 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HDAC1 Q13547 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
SCHEMBL18386623 0.90 CYP1A2 (0.41) CYP1A2CYP2A6SIGMAR1HRH3
SCHEMBL16594922 0.89 KDM4E (0.49) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL16594736 0.89 KDM4E (0.49) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL4813306 0.89 SIGMAR1 (0.59) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL2093292 0.87 SIGMAR1 (0.57) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL2097303 0.85 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL8500204 0.85 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL869422 0.83 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL29546077 0.83 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL2093537 0.81 CYP1A2 (0.57) CYP1A2CYP2A6SIGMAR1HRH3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487714-A4 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS 1993-07-07 EP claimed
EP-0487714-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-06-03 EP claimed
WO-1992000260-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-01-09 WO claimed
CN-119569545-A Preparation method of methyl ether compound of fatty alcohol 中国人民解放军军事科学院防化研究院 2025-03-07 CN disclosed
US-8524729-B2 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-8524729-B2 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20070123521-A1 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 US disclosed
US-20070123521-A1 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0487714-A4 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS 1993-07-07 EP disclosed
EP-0487714-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-06-03 EP disclosed
WO-1992000260-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-01-09 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CYP1A2 1549/4885CYP2A6 1077/4885SIGMAR1 3155/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP1A2 1764/4885CYP2A6 1760/4885SIGMAR1 3540/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP1A2 1549/4885CYP2A6 1077/4885SIGMAR1 3155/4885
US-20070123521-A1 Cinnamoyl derivatives and use thereof CES2, EBP, CPT1A CYP1A2 132/4885CYP2A6 367/4885SIGMAR1 1444/4885

“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.