SCHEMBL7168221

SCHEMBL7168221

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2-c2c(cccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)OCCCO3)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL7159681 0.88 LMNA (0.33) FFAR4NPC1CYP1A2CYP2C19RAB9A
SCHEMBL372145 0.82 ITGB2 (0.39) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL19928557 0.81 DRD1 (0.36) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL3136613 0.79 ITGB2 (0.39) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL9913796 0.78 DRD1 (0.36) SMN1; SMN2ITGB2ICAM1ITGALMAP3K14
SCHEMBL20351197 0.78 ITGB2 (0.38) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL13243539 0.78 ITGB2 (0.38) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL3133241 0.78 ITGB2 (0.38) NPC1RAB9ASMN1; SMN2ITGB2ICAM1
SCHEMBL14692659 0.76 NR3C1 (0.31)
SCHEMBL3132985 0.75 ITGB2 (0.46) SMN1; SMN2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
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
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
EP-1095946-B1 Optically active diphosphine compound, production intermediates therefor, transition metal complex containing the compound as ligand and asymmetric hydrogenation catalyst containing the complex TAKASAGO PERFUMERY CO LTD (JP) 2003-08-27 EP disclosed
US-6333291-B1 USEFUL AS A LIGAND OF CATALYSTS FOR ASYMMETRIC SYNTHESIS REACTIONS SUCH AS ASYMMETRIC HYDROGENATION REACTION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-12-25 US disclosed
EP-1095946-A1 Optically active diphosphine compound, production intermediates therefor, transition metal complex containing the compound as ligand and asymmetric hydrogenation catalyst containing the complex Takasago International Corporation (JP) 2001-05-02 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 FFAR4 4210/4885NPC1 469/4885CYP1A2 2932/4885
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 FFAR4 1604/4885NPC1 2818/4885CYP1A2 472/4885
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH5, ADH1C, ADH1A FFAR4 2018/4885NPC1 3522/4885CYP1A2 23/4885
US-20140187809-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST ADH1C, ADH5, ADH1A FFAR4 1775/4885NPC1 3755/4885CYP1A2 37/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC FFAR4 3210/4885NPC1 3125/4885CYP1A2 289/4885

“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.