SCHEMBL197635

SCHEMBL197635

[CH2]C(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ACP3 P15309 1/20 0.34
CYP2D6 P10635 1/20 0.33
SRC P12931 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16798426 0.77 IDO1 (0.39) ALDH1A1IDO1TDO2
SCHEMBL28832809 0.77 POLB (0.33) DPP4TSHRF2ALDH1A1ACP3
SCHEMBL7623731 0.74 TSHR (0.43) DPP4TSHRF2ALDH1A1HTR2A
SCHEMBL596278 0.74 RIPK1 (0.40) DPP4TSHRF2HTR2ATAAR1
SCHEMBL16960501 0.73 ACP3 (0.40) TSHRALDH1A1ACP3
SCHEMBL536997 0.72 DPP4 (0.41) DPP4TSHRF2ALDH1A1HTR2A
SCHEMBL10069117 0.72 ESR1 (0.59) DPP4TSHRF2ALDH1A1HTR2A
SCHEMBL6835370 0.70 DPP4 (0.39) DPP4TSHRF2ALDH1A1HTR2A
SCHEMBL7772037 0.70 DPP4 (0.39) DPP4TSHRF2ALDH1A1HTR2A
SCHEMBL5610559 0.70 PARP1 (0.36) HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071984-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-11 US claimed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US claimed
CN-103232324-B The preparation method of a kind of (R)-3,5-pairs of (trifluoromethyl) phenylethyl alcohols GUANGXI XINJING SCI. & TECH. CO., LTD. (CN) 2016-03-16 CN claimed
CN-105330517-A Method for synthesizing 3,5-bis(trifluoromethyl) phenethyl alcohol ENANTIOTECH CORP LTD 2016-02-17 CN claimed
CN-103382208-A Preparation method of Arglabin ACCENDATECH CO LTD 2013-11-06 CN claimed
CN-103232324-A Method for preparing (R)-3,5-bis(trifluoromethyl)benzene-ethanol GUANGXI XINJING TECHNOLOGY CO LTD 2013-08-07 CN claimed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 US claimed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
JP-2011528040-A 2011-11-10 JP claimed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US claimed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
US-5389612-A Treating infections caused by clostridium histolyticum and pseudomonas aeruginosa; enzyme inhibitors COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-02-14 US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US claimed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10071984-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B DPP4 855/4885TSHR 3927/4885F2 4865/4885
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 DPP4 1727/4885TSHR 3511/4885F2 3441/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 DPP4 993/4885TSHR 3211/4885F2 4533/4885

“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.