SCHEMBL1040218

SCHEMBL1040218

Cc1c(C(F)(F)F)cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C(F)(F)F)c(C)c2C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 1/20 0.31
AR P10275 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
SCHEMBL8982503 0.81 PDE4A (0.32) CYP3A4TDP1HSD11B1AR
SCHEMBL19009972 0.76 HSD11B1 (0.30) HSD11B1
SCHEMBL19009982 0.72 ALDH1A1 (0.39) CYP3A4TDP1
SCHEMBL4205832 0.72 ALDH1A1 (0.39) CYP3A4TDP1
SCHEMBL15658814 0.71 TDP1 (0.39) CYP3A4TDP1HSD11B1
SCHEMBL15660678 0.71 CYP3A4 (0.39) CYP3A4TDP1HSD11B1
SCHEMBL10792614 0.70 TDP1 (0.46) CYP3A4TDP1HSD11B1AR
SCHEMBL30085602 0.70 TDP1 (0.46) CYP3A4TDP1HSD11B1AR
SCHEMBL8168777 0.69 TDP1 (0.41) CYP3A4TDP1
SCHEMBL12880845 0.69 ALDH1A1 (0.32) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3199513-B1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-08 EP disclosed
US-10029968-B2 Process for producing alcohol analogue TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-10-19 US disclosed
EP-3199513-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE Takasago International Corporation (JP) 2017-08-02 EP disclosed
EP-2762467-B1 Method for producing an optically active 2-arylpiperidinium salt TAKASAGO PERFUMERY CO LTD (JP) 2016-08-03 EP disclosed
EP-2611819-B1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-12-16 EP disclosed
US-9012649-B2 Method for producing optically active 2-arylpiperidinium salt TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-21 US disclosed
EP-2762467-A1 Method for producing an optically active 2-arylpiperidinium salt Takasago International Corporation (JP) 2014-08-06 EP disclosed
US-20140213792-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERIDINIUM SALT TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-31 US disclosed
EP-1698609-B1 Process for producing an alcohol or its silyl ether TAKASAGO PERFUMERY CO LTD (JP) 2013-07-31 EP disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 US disclosed
US-20090227805-A1 Axially Asymmetric Phosphorus Compound and Production Method Thereof NATIONAL UNIVERSITY OF CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-09-10 US disclosed
EP-2098531-A1 Axially asymmetric phosphorus compound and production method thereof National University Corporation Tokyo University of Agriculture and Technology (JP) 2009-09-09 EP disclosed
US-20090221851-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPHOSPHINYLBUTANOIC ACIDS MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-09-03 US disclosed
EP-2060578-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPHOSPHINYLBUTANOIC ACID MEIJI SEIKA KAISHA LTD. (JP) 2009-05-20 EP disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
EP-1935896-A1 Novel optically active biaryl phosphorus compound and production process thereof National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-06-25 EP disclosed
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof MAXWELL TECHNOLOGIES, INC. 2008-06-12 US disclosed
EP-1698609-A1 Process for producing an alcohol or its silyl ether Takasago International Corporation (JP) 2006-09-06 EP disclosed
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 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 (8 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 CYP3A4 137/4885TDP1 3327/4885HSD11B1 568/4885
US-20090299076-A1 Axially asymmetric ester compound and production method thereof SQLE, COASY, TBC1D5 CYP3A4 260/4885TDP1 4810/4885HSD11B1 149/4885
US-20090227805-A1 Axially Asymmetric Phosphorus Compound and Production Method Thereof BCL2L10, BCL2A1, SOST CYP3A4 2111/4885TDP1 3393/4885HSD11B1 1978/4885
US-20090221851-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPHOSPHINYLBUTANOIC ACIDS AGPS, AASDHPPT, ALAD CYP3A4 464/4885TDP1 4270/4885HSD11B1 414/4885
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof PHOSPHO1, DHRS9, HDHD5 CYP3A4 1590/4885TDP1 3914/4885HSD11B1 852/4885
US-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE ADH1A, ADH1C, ADH5 CYP3A4 523/4885TDP1 4077/4885HSD11B1 170/4885
US-20140213792-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERIDINIUM SALT REN, KCNH3, KCNH2 CYP3A4 1499/4885TDP1 3727/4885HSD11B1 1536/4885
US-10029968-B2 Process for producing alcohol analogue ADH1A, ADH1C, ADH5 CYP3A4 523/4885TDP1 4077/4885HSD11B1 170/4885

“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.