SCHEMBL4916359

SCHEMBL4916359

CCC(C)c1ccc(C(F)(F)C(F)(F)F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
TSHR P16473 1/20 0.49
PDE2A O00408 3/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SRC P12931 1/20 0.34
ESR1 P03372 5/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL4915106 0.89 RORC (0.68) RORCTSHRPDE2AALDH1A1HPGD
SCHEMBL4914691 0.87 RORC (0.56) RORCTSHRPDE2AALDH1A1HPGD
SCHEMBL4914564 0.83 LMNA (0.50) RORCTSHRPDE2AALDH1A1HPGD
SCHEMBL11699873 0.81 RORC (0.62) RORCTSHRALDH1A1HPGDALOX15
SCHEMBL4917596 0.76 RORC (0.46) RORCTSHRPDE2AALDH1A1HPGD
SCHEMBL4910562 0.75 RORC (0.72) RORCTSHRPDE2AALDH1A1HPGD
SCHEMBL21064683 0.74 TSHR (0.57) RORCTSHRALDH1A1HPGDALOX15
SCHEMBL1104213 0.73 TSHR (0.61) RORCTSHRALDH1A1HPGDALOX15
SCHEMBL29492442 0.73 TSHR (0.61) RORCTSHRALDH1A1HPGDALOX15
SCHEMBL25374759 0.73 PDE2A (0.50) RORCPDE2AESR1ARESR2

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 278/4885TSHR 1138/4885PDE2A 1999/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 RORC 278/4885TSHR 1138/4885PDE2A 1999/4885

“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.