SCHEMBL5896833

SCHEMBL5896833

Cc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(Cl)c2C)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD1 P21728 2/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7030626 0.91 GAA (0.39) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL19009972 0.87 HSD11B1 (0.30)
SCHEMBL5897025 0.86 MAPT (0.32) ALDH1A1GAAMAPT
SCHEMBL29597288 0.83 CYP3A4 (0.42) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL12446368 0.83 CYP3A4 (0.42) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL5897034 0.81 AKT1 (0.33) CYP3A4ALDH1A1GAAMAPT
SCHEMBL13338228 0.80 CYP3A4 (0.33) CYP3A4TDP1DRD1ALDH1A1GAA
SCHEMBL7552025 0.80 ADORA2A (0.31)
SCHEMBL17426096 0.79 CYP3A4 (0.38) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL31566366 0.76 CYP3A4 (0.35) CYP3A4TDP1DRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 US disclosed
EP-2774908-B1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO PERFUMERY CO LTD (JP) 2017-02-08 EP disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-9255049-B2 Ruthenium complex and method for preparing optically active alcohol compounds using the same as a catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-02-09 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
US-9079931-B2 Ruthenium complex and method for preparing optically active alcohol compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-14 US disclosed
EP-2563799-B1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-02-11 EP disclosed
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 US disclosed
EP-2774908-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY Takasago International Corporation (JP) 2014-09-10 EP disclosed
US-20140187809-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-03 US disclosed
EP-2695887-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST Takasago International Corporation (JP) 2014-02-12 EP disclosed
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-14 US disclosed
US-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP disclosed
EP-0860432-B1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same TAKASAGO PERFUMERY CO LTD (JP) 2002-06-05 EP disclosed
US-5859249-A CYCLIZATION A 7-(N-SUBSTITUTED AMINO)-3-OXO-2-PHENYLHEPTANOATE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-01-12 US disclosed
US-5801271-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-01 US disclosed
EP-0860432-A1 2-Phenyl-2-(2'-piperidinylidene) acetate derivative, process for manufacturing the same, and process for manufacturing optically active 2-phenyl-2(2'-piperidinyl) acetate derivative by asymmetrically hydrogenating the same Takasago International Corporation (JP) 1998-08-26 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 (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-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY QDPR, NOX4, NOX5 CYP3A4 731/4885TDP1 3730/4885DRD1 1239/4885
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH5, ADH1C, ADH1A CYP3A4 20/4885TDP1 4056/4885DRD1 121/4885
US-20140187809-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST ADH1C, ADH5, ADH1A CYP3A4 31/4885TDP1 4367/4885DRD1 117/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC CYP3A4 863/4885TDP1 2900/4885DRD1 61/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CYP3A4 224/4885TDP1 4184/4885DRD1 130/4885

“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.