SCHEMBL4910562

SCHEMBL4910562

CCC(C)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.72
PDE2A O00408 4/20 0.50
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
AR P10275 2/20 0.39
PTGS1 P23219 1/20 0.39
NQO2 P16083 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL4914691 0.88 RORC (0.56) RORCPDE2ATSHRUSP2ALDH1A1
SCHEMBL4915106 0.86 RORC (0.68) RORCPDE2ATSHRUSP2ALDH1A1
SCHEMBL2034981 0.84 RORC (0.80) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL29393026 0.84 RORC (1.00) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL125246 0.84 RORC (1.00) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL29492951 0.84 RORC (1.00) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL4905932 0.83 PDE2A (0.49) RORCPDE2AALDH1A1HPGDALOX15
SCHEMBL9861928 0.83 RORC (0.51) RORCPDE2AESR1ESR2
SCHEMBL24180098 0.82 PDE2A (0.54) RORCPDE2ATSHRDPP7HTR2A
SCHEMBL2759875 0.82 RORC (0.49) RORCPDE2ATSHRDPP7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 RORC 278/4885PDE2A 1999/4885TSHR 1138/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 RORC 278/4885PDE2A 1999/4885TSHR 1138/4885

“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.