SCHEMBL4914564

SCHEMBL4914564

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2B P41595 2/20 0.50
TRPA1 O75762 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA1A P35348 1/20 0.50
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDE2A O00408 3/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
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
RORC P51449 1/20 0.35
HSD11B1 P28845 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
SCHEMBL4917596 0.85 RORC (0.46) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL1660124 0.85 LMNA (0.53) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL4916359 0.83 RORC (0.53) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL26200269 0.81 PDE2A (0.37) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL5167842 0.79 ALDH1A1 (0.59) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL25374759 0.74 PDE2A (0.50) PDE2ARORC
SCHEMBL9861396 0.74 PDE2A (0.34) PDE2AHSD11B1
SCHEMBL4915106 0.74 RORC (0.68) HSP90AA1HSP90AB1PDE2AHPGDALDH1A1
SCHEMBL25376231 0.73 PDE2A (0.57) PDE2A
SCHEMBL20078234 0.73 ESR1 (0.57) LMNASLC6A2HTR2BTRPA1CHRM1

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 LMNA 4011/4885SLC6A2 220/4885HTR2B 1179/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 LMNA 4011/4885SLC6A2 220/4885HTR2B 1179/4885

“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.