SCHEMBL4917596

SCHEMBL4917596

CC(C)c1cc(C(F)(F)C(F)(F)F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
LMNA P02545 3/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2B P41595 2/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE2A O00408 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
PPARG P37231 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
SCHEMBL4914564 0.85 LMNA (0.50) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL3684221 0.85 RORC (0.46) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL4905932 0.85 PDE2A (0.49) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL4915106 0.84 RORC (0.68) RORCHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL29961533 0.80 ESR1 (0.58) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL14669299 0.80 ESR1 (0.46) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL29350897 0.79 RORC (0.70) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL5166157 0.79 ALDH1A1 (0.59) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL29395733 0.79 RORC (0.70) RORCGABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL124727 0.79 RORC (0.70) RORCGABRA1GABRB2HSP90AA1HSP90AB1

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
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-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 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 278/4885GABRA1 3412/4885GABRB2 4004/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 RORC 278/4885GABRA1 3412/4885GABRB2 4004/4885

“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.