SCHEMBL99424

SCHEMBL99424

C[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.46
CES2 O00748 2/20 0.43
TACR1 P25103 7/20 0.40
PNMT P11086 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAPT P10636 1/20 0.38
PTPN5 P54829 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
S1PR1 P21453 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
SCHEMBL265045 1.00 PDE2A (0.46) PDE2ACES2TACR1PNMTIDO1
SCHEMBL435108 1.00 PDE2A (0.46) PDE2ACES2TACR1PNMTIDO1
SCHEMBL9386794 0.96 PDE2A (0.43) PDE2ACES2TACR1PNMTIDO1
SCHEMBL23895404 0.92 PDE2A (0.41) PDE2ACES2TACR1PNMTIDO1
SCHEMBL7250729 0.88 PDE2A (0.39) PDE2ACES2TACR1
SCHEMBL5199897 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT
SCHEMBL1295024 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTPTPN5
SCHEMBL12118738 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT
SCHEMBL31560879 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTPTPN5
SCHEMBL15216810 0.87 PDE2A (0.41) PDE2ACES2TACR1PNMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112048538-A Method for preparing (S) - [3, 5-bis (trifluoromethyl) phenyl ] ethanol by using Verticillium terrestris 浙江工业大学 2020-12-08 CN claimed
EP-2578574-B1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME KOWA CO (JP) 2016-04-27 EP claimed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US claimed
CN-103773724-B Rhodococcus XS1012 and preparing the application in chiral alcohol JIANG University OF TECHNOLOGY (CN) 2016-01-20 CN claimed
US-8906895-B2 Optically active dibenzylamine derivative, and method for preparing thereof KOWA COMPANY, LTD. (JP) 2014-12-09 US claimed
CN-103773724-A Rhodococcus erythropolis XS1012 and application thereof in preparation of chiral alcohol UNIV ZHEJIANG TECHNOLOGY 2014-05-07 CN claimed
US-20130225814-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF KOWA COMPANY, LTD. (JP) 2013-08-29 US claimed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US claimed
EP-2597079-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE Kowa Company Ltd. (JP) 2013-05-29 EP claimed
EP-2578574-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME Kowa Company, Ltd. (JP) 2013-04-10 EP claimed
US-20260085334-A1 ENGINEERED KETOREDUCTASES FOR THE PREPARATION OF CHIRAL ALCOHOLS AND METHODS THEREOF ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2026-03-26 US disclosed
EP-4551693-A1 ENGINEERED KETOREDUCTASES FOR THE PREPARATION OF CHIRAL ALCOHOLS AND METHODS THEREOF Enzymaster (Ningbo) Bio-Engineering Co., Ltd. (CN) 2025-05-14 EP disclosed
CN-118667775-A Biocatalyst and method for synthesizing chiral alcohol compound 宁波酶赛生物工程有限公司 2024-09-20 CN disclosed
WO-2024188081-A1 BIOCATALYST AND METHOD FOR SYNTHESIZING CHIRAL ALCOHOL COMPOUNDS ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2024-09-19 WO disclosed
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 CN disclosed
EP-1448788-A4 PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL AND ESTERS THEREOF BY DYNAMIC KINETIC RESOLUTION MERCK & CO INC (US) 2006-03-29 EP disclosed
WO-2005095628-A1 METHOD FOR THE PRODUCTION OF CHIRAL, SECONDARY ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-10-13 WO disclosed
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2005-07-28 US disclosed
EP-1448788-A2 PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL AND ESTERS THEREOF BY DYNAMIC KINETIC RESOLUTION Merck & Co., Inc. (US) 2004-08-25 EP disclosed
WO-2003043575-A2 PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL AND ESTERS THEREOF BY DYNAMIC KINETIC RESOLUTION MERCK & CO., INC. (US) 2003-05-30 WO 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-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 PDE2A 1870/4885CES2 3886/4885TACR1 1/4885
US-20260085334-A1 ENGINEERED KETOREDUCTASES FOR THE PREPARATION OF CHIRAL ALCOHOLS AND METHODS THEREOF ADH1A, CYP4F11, ADH1C PDE2A 2396/4885CES2 163/4885TACR1 3687/4885
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK PDE2A 4036/4885CES2 1977/4885TACR1 747/4885
US-20130225814-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF PCSK9, LDLR, PCSK7 PDE2A 2142/4885CES2 3105/4885TACR1 1937/4885

“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.