SCHEMBL2102041

SCHEMBL2102041

Cc1cc(C)cc(-c2[c]c3ccccc3cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 3/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL4156055 0.86 CYP2A6 (0.39) CYP2A6TDP1CYP1A2ADORA2AADORA1
SCHEMBL8913546 0.84
SCHEMBL321122 0.83 TDP1 (0.39) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL7622283 0.80 CYP2A6 (0.41) CYP2A6TDP1CYP1A2ALDH1A1HPGD
SCHEMBL79020 0.78 ALDH1A1 (0.35) CYP2A6TDP1ALDH1A1TSHRHSD17B10
SCHEMBL239122 0.77 CYP2A6 (0.37) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL1719526 0.77 GSTP1 (0.44) CYP1A2ALDH1A1CYP2C9HPGDSMN1; SMN2
SCHEMBL4216130 0.76 ESR1 (0.38) TDP1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL8359885 0.76 MEN1 (0.42) TDP1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL11516832 0.75 MAOA (0.47) TDP1ALDH1A1CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849778-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2013-04-24 EP disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-8217184-B2 Process for producing optically active cis-silyl olefin oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-10 US disclosed
US-8163941-B2 Reacting an unsaturated compound with oxidier in presence of a oxidation catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-24 US disclosed
EP-1873160-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE -HYDROXYPHOSPHONIC ACIDS AND DERIVATIVES THEREOF, OPTICALLY ACTIVE ALUMINUM(SALALEN) COMPLEXES AND PROCESS FOR PRODUCTION OF THE COMPLEXES, AND PROCESS FOR PRODUCTION OF SALALEN LIGANDS JAPAN SCIENCE & TECH AGENCY (JP) 2011-07-13 EP disclosed
US-20100305338-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CIS-SILYL OLEFIN OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-02 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
US-20040230077-A1 Method of producing optically active sulfimide compound KYUSHU UNIVERSITY (JP) 2004-11-18 US disclosed
US-20040220413-A1 Method of producing optically active aziridine compounds and amine compounds KYUSHU UNIVERSITY (JP) 2004-11-04 US disclosed
US-20040202971-A1 Silver halide emulsion, method of preparing the same, and silver halide color photographic photosensitive material and image-forming method using the emulsion FUJI PHOTO FILM CO., LTD. 2004-10-14 US disclosed
EP-1452523-A2 Method of producing optically active sulfimide compounds KYUSHU UNIVERSITY (JP) 2004-09-01 EP disclosed
US-6784302-B2 HIGHER ENANTIOMERIC EXCESS BY USING A SPECIFIED ZIRCONIUM (SALEN) COMPLEX AS CATALYST TO CONDUCT A BAEYER-VILLIGER REACTION OF A CYCLIC KETONE; OXIDATION USING A HYDROGEN PEROXIDE OXIDIZER TO PRODUCE CYCLIC ESTERS KYUSHU UNIVERSITY (JP) 2004-08-31 US disclosed
EP-1449831-A1 Method of producing optically active aziridine compounds and amine compounds Kyushu University (JP) 2004-08-25 EP disclosed
US-6750004-B2 SENSITIZED WITH GOLD OR INDIUM COMPLEX FUJI PHOTO FILM CO., LTD. (JP) 2004-06-15 US disclosed
US-20040010152-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2004-01-15 US disclosed
EP-1352908-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2003-10-15 EP disclosed
US-20020155394-A1 Silver halide emulsion, method of preparing the same, and silver halide color photographic photosensitive material and image-forming method using the emulsion FUJI PHOTO FILM CO., LTD. 2002-10-24 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 (6 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-20040010152-A1 Method of producing optically active lactone compound and complex used in the method CYC1, CYP11B1, CYP17A1 CYP2A6 598/4885TDP1 4611/4885CYP1A2 159/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CYP2A6 1204/4885TDP1 4469/4885CYP1A2 1135/4885
US-20100305338-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CIS-SILYL OLEFIN OXIDE COMPOUND CYP51A1, MSMO1, SQLE CYP2A6 106/4885TDP1 4601/4885CYP1A2 47/4885
US-20040230077-A1 Method of producing optically active sulfimide compound TST, STS, ARSA CYP2A6 1033/4885TDP1 4842/4885CYP1A2 646/4885
US-20040220413-A1 Method of producing optically active aziridine compounds and amine compounds AOC2, AZI2, SRM CYP2A6 762/4885TDP1 3968/4885CYP1A2 202/4885
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME CYP4F11, CYP51A1, COASY CYP2A6 212/4885TDP1 4140/4885CYP1A2 77/4885

“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.