SCHEMBL92949

SCHEMBL92949

OCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
TP53 P04637 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLF10 Q13118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
GRIN2B Q13224 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL14016062 0.85 PDE2A (0.42) PDE2AALDH1A1SLC6A4SLC6A2HTR2A
SCHEMBL30523915 0.84 PDE2A (0.49) PDE2AALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL92913 0.84 PDE2A (0.49) PDE2AALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL10656350 0.83 SLC6A4 (0.48) PDE2AALDH1A1SLC6A4SLC6A2HTR2A
SCHEMBL80680 0.82 TRPV1 (0.42) PDE2AALDH1A1SLC6A4SLC6A2HTR2A
SCHEMBL5436712 0.82 SLC6A4 (0.43) PDE2AALDH1A1SLC6A4SLC6A2HTR2A
SCHEMBL1014987 0.81 KLF10 (0.44) PDE2AALDH1A1KLF10CYP3A4FFAR4
SCHEMBL31085526 0.81 KLF10 (0.44) PDE2AALDH1A1KLF10CYP3A4FFAR4
SCHEMBL12512413 0.80 LMNA (0.43) PDE2AALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10050765 0.80 SLC6A4 (0.46) PDE2AALDH1A1SLC6A4SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265413-A Synthetic method of 4'-fluorine-2'-methoxyl-5'-isopropy-4-trifloromethyl-1, 1'-biphenyl-2-methanol UNIV EAST CHINA NORMAL 2013-08-28 CN claimed
CN-103113193-A Synthetic method of 2-chlorine-5-trifluoromethyl benzyl alcohol UNIV EAST CHINA NORMAL 2013-05-22 CN claimed
US-9708277-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708277-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
EP-2935508-B1 TRACERS RESTRACK AS (NO) 2017-02-15 EP disclosed
US-20160115138-A1 Inhibitors of Cholesterol Ester Transfer Protein CONCERT PHARMACEUTICALS, INC. 2016-04-28 US disclosed
US-20160115138-A1 Inhibitors of Cholesterol Ester Transfer Protein CONCERT PHARMACEUTICALS, INC. 2016-04-28 US disclosed
EP-2985022-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2016-02-17 EP disclosed
US-9233938-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-9233938-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 US disclosed
WO-2007005572-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR MERCK & CO., INC. (US) 2007-01-11 WO disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 EP disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 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 (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-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 PDE2A 1754/4885ALDH1A1 296/4885SLC6A4 3676/4885
US-20160115138-A1 Inhibitors of Cholesterol Ester Transfer Protein CETP, NPC1L1, STARD3 PDE2A 3685/4885ALDH1A1 2796/4885SLC6A4 1296/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 PDE2A 2905/4885ALDH1A1 365/4885SLC6A4 3216/4885

“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.