SCHEMBL7216715

SCHEMBL7216715

CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
AR P10275 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
XPO1 O14980 1/20 0.39
IDO1 P14902 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
RXRG P48443 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 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
SCHEMBL16261285 0.91 RAPGEF4 (0.46) CES2ARMEN1KMT2AMAPT
SCHEMBL14994029 0.89 NOTUM (0.49) CES2ARMEN1KMT2AMAPT
SCHEMBL545622 0.89 TSHR (0.43) CES2ARMEN1KMT2AMAPT
SCHEMBL548187 0.85 GABRA1 (0.45) ARMEN1KMT2AMAPTRXRA
SCHEMBL16259688 0.85 AR (0.39) CES2ARMEN1KMT2AMAPT
SCHEMBL4564009 0.83 CES2 (0.48) CES2ARMEN1KMT2AMAPT
SCHEMBL15456420 0.83 CES2 (0.41) CES2ARMEN1KMT2AMAPT
SCHEMBL27186725 0.83 CES2 (0.55) CES2ARMEN1KMT2AMAPT
SCHEMBL29799797 0.83 CES2 (0.55) CES2ARMEN1KMT2AMAPT
SCHEMBL29799650 0.82 TACR1 (0.44) CES2ARMEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381886-A1 A PROCESS FOR PRODUCING CARBOXYLIC ACIDS FROM TERTIARY ALCOHOLS UNDER CONTINUOUS FLOW Helsinn Healthcare SA (CH) 2018-10-03 EP disclosed
EP-1368295-B1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-20130281729-A1 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS AET GROUP (FR) 2013-10-24 US disclosed
EP-2651870-A2 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS Aet Group (FR) 2013-10-23 EP disclosed
WO-2012080647-A2 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS AET GROUP (FR) 2012-06-21 WO disclosed
CN-1235856-C Process for preparing phenylacetic acid derivatives HOFFMANN LA ROCHE (CH) 2006-01-11 CN disclosed
CN-1491200-A Process for manufacture of phenylacetic acid derivatives - 2004-04-21 CN disclosed
EP-1368295-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. Hoffman-la Roche AG (CH) 2003-12-10 EP disclosed
US-6531597-B2 Reacting a halo substituted benzene with a ketone to form a hydroxyalkyl benzene that is carbonylated with a strong acid HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
US-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives HOFFMANN-LA ROCHE INC. 2002-10-24 US disclosed
WO-2002079134-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2002-10-10 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 (2 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-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives ALDH1A1, UGT1A1, PAH CES2 1802/4885AR 1677/4885MEN1 1374/4885
US-20130281729-A1 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS ADH1A, ADH5, ADH1C CES2 40/4885AR 3578/4885MEN1 4524/4885

“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.