SCHEMBL1660124

SCHEMBL1660124

CC(C)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TRPA1 O75762 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
PDE2A O00408 5/20 0.53
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4914564 0.85 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4905932 0.84 PDE2A (0.49) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28186848 0.82 PDE2A (0.47) PDE2AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL4914691 0.82 RORC (0.56) HTR2BPDE2AHSP90AA1HSP90AB1MEN1
SCHEMBL5167842 0.82 ALDH1A1 (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL12889906 0.81 PDE2A (0.53) HTR2BPDE2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9798152 0.80 PDE2A (0.46) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10304787 0.79 PDE2A (0.52) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL84521 0.78 PDE2A (0.70) PDE2A
SCHEMBL8291096 0.78 PDE2A (0.50) HTR2BPDE2AHSP90AA1HSP90AB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960539-A Use of fluoromethylphenols as solvents for LC-polymers, and new fluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
WO-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 WO disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 US disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 US disclosed
US-4960539-A Use of fluoromethylphenols as solvents for LC-polymers, and new fluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0286953-B1 USE OF FLUOROMETHYL PHENOLS AS SOLVENTS FOR LC POLYMERS, AND FLUOROMETHYL PHENOLS BAYER AG (DE) 1990-09-26 EP disclosed
EP-0286953-A1 Use of fluoromethyl phenols as solvents for LC polymers, and fluoromethyl phenols BAYER AG (DE) 1988-10-19 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 (5 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3964/4885TRPA1 1/4885CHRM1 2859/4885
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 LMNA 4011/4885TRPA1 221/4885CHRM1 217/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3964/4885TRPA1 1/4885CHRM1 2859/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 LMNA 3181/4885TRPA1 1065/4885CHRM1 1257/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 LMNA 4011/4885TRPA1 221/4885CHRM1 217/4885

“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.