SCHEMBL1224769

SCHEMBL1224769

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCCN4C)OCCN3C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR6 P50406 1/20 0.32
NOTUM Q6P988 1/20 0.32
GRM5 P41594 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 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
SCHEMBL30818349 0.84 GRM5 (0.39) CYP11B1CYP11B2HTR6NOTUMGRM5
SCHEMBL726239 0.84 GRM5 (0.39) CYP11B1CYP11B2HTR6NOTUMGRM5
SCHEMBL15905925 0.81 GRM5 (0.36) CYP11B1CYP11B2GRM5PKMDRD2
SCHEMBL12446372 0.80 PTGER3 (0.36) CYP11B1CYP11B2NOTUMGRM5PKM
SCHEMBL6213387 0.76 ALDH1A1 (0.33) KMT2AMEN1PKMALDH1A1HTT
SCHEMBL19912184 0.75 TNKS (0.34) GRM5DRD2
SCHEMBL19009978 0.75 GRM5 (0.33) GRM5DRD1
SCHEMBL14687750 0.75 DAO (0.33)
SCHEMBL13681621 0.74 SCN9A (0.37) GRM5DRD2
SCHEMBL12661284 0.73 PKM (0.39) CYP11B1CYP11B2NOTUMGRM5KMT2A

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 14 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
EP-2264000-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND USING RUTHENIUM COMPOUND NIPPON SODA CO (JP) 2016-05-11 EP disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 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
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-8207379-B2 Ruthenium compound and method for producing optically active aminoalcohol compound NIPPON SODA CO., LTD. (JP) 2012-06-26 US disclosed
US-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND NIPPON SODA CO., LTD. (JP) 2011-02-03 US disclosed
EP-2264000-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND Nippon Soda Co., Ltd. (JP) 2010-12-22 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 (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-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY QDPR, NOX4, NOX5 CYP11B1 932/4885CYP11B2 554/4885HTR6 3118/4885
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH5, ADH1C, ADH1A CYP11B1 42/4885CYP11B2 39/4885HTR6 3446/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC CYP11B1 1555/4885CYP11B2 1371/4885HTR6 343/4885
US-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND PDHX, PKLR, RIOX2 CYP11B1 840/4885CYP11B2 485/4885HTR6 3249/4885

“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.