SCHEMBL1747997

SCHEMBL1747997

COc1c(C)cc(F)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MCL1 Q07820 1/20 0.38
SRC P12931 1/20 0.37
PRKDC P78527 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TRIM24 O15164 1/20 0.34

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
SCHEMBL1186103 0.82 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29951095 0.82 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31538431 0.81 ERN1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL14292700 0.81 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL7522554 0.80 ERN1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1748304 0.79 ERN1 (0.40) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30310598 0.79 ERN1 (0.40) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL18002725 0.79 CA1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL10265990 0.79 PRKDC (0.47) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL21966712 0.79 ACHE (0.40) ALDH1A1TDP1CA2FFAR4

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
WO-2026089784-A2 COMPOUNDS AND COMPOSITIONS FOR CONJUGATION TO BIOLIGANDS FOR IMAGING AND RADIOPHARMACEUTICAL APPLICATIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2026-04-30 WO disclosed
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ERN1 4404/4885ALDH1A1 1488/4885KDM4E 1616/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ERN1 4404/4885ALDH1A1 1488/4885KDM4E 1616/4885

“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.