SCHEMBL6662416

SCHEMBL6662416

CCCCCCCCC1COC(=O)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.69
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.41
CHRM5 P08912 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
EPHX1 P07099 1/20 0.37
PRKCA P17252 5/20 0.36
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL9136471 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL664978 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL28296028 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL8710704 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL28238797 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL28237732 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL5988542 0.92 CYP1A2 (0.62) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL5105796 0.92 CYP1A2 (0.62) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL9862755 0.88 CYP1A2 (0.55) CYP1A2PPARGPRKCA
SCHEMBL28363554 0.86

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109832623-A A kind of nutrition fermented food 臻味之(烟台)食品科技有限公司 2019-06-04 CN claimed
US-20040225135-A1 Method of producing optically active lactone compound KYUSHA UNIVERSITY (JP) 2004-11-11 US claimed
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 claimed
EP-1449840-A1 Method of producing optically active lactone compound Kyushu University (JP) 2004-08-25 EP claimed
US-6713435-B2 SUCH AS B-PHENYL-GAMMA-BUTYLOLACTONE VIA OXIDATION OF CYCLIC KETONE (3-PHENYLCYCLOBUTANONE) WITH HYDROGEN PEROXIDE/UREA HYDROGEN PEROXIDE IN PRESENCE OF COBALT/SALEN COMPLEX AS CATALYST KYUSHU UNIVERSITY (JP) 2004-03-30 US claimed
US-20040010152-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2004-01-15 US claimed
EP-1352908-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2003-10-15 EP claimed
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure KYUSHU UNIVERSITY (JP) 2003-06-26 US claimed
EP-1288210-A2 A method for producing optically active lactone compounds by using salen cobalt complexes having a CIS-Beta structure KYUSHU UNIVERSITY (JP) 2003-03-05 EP claimed
CN-109832623-A A kind of nutrition fermented food 臻味之(烟台)食品科技有限公司 2019-06-04 CN disclosed
US-20040225135-A1 Method of producing optically active lactone compound KYUSHA UNIVERSITY (JP) 2004-11-11 US 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-1449840-A1 Method of producing optically active lactone compound Kyushu University (JP) 2004-08-25 EP disclosed
US-6713435-B2 SUCH AS B-PHENYL-GAMMA-BUTYLOLACTONE VIA OXIDATION OF CYCLIC KETONE (3-PHENYLCYCLOBUTANONE) WITH HYDROGEN PEROXIDE/UREA HYDROGEN PEROXIDE IN PRESENCE OF COBALT/SALEN COMPLEX AS CATALYST KYUSHU UNIVERSITY (JP) 2004-03-30 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-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure KYUSHU UNIVERSITY (JP) 2003-06-26 US disclosed
EP-1288210-A2 A method for producing optically active lactone compounds by using salen cobalt complexes having a CIS-Beta structure KYUSHU UNIVERSITY (JP) 2003-03-05 EP 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 (3 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 CYP1A2 159/4885ALDH1A1 338/4885L3MBTL1 4112/4885
US-20040225135-A1 Method of producing optically active lactone compound PPOX, CYP11B1, CYP17A1 CYP1A2 519/4885ALDH1A1 1491/4885L3MBTL1 3380/4885
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure SOD1, OAT, SOD3 CYP1A2 413/4885ALDH1A1 691/4885L3MBTL1 3129/4885

“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.