SCHEMBL4936065

SCHEMBL4936065

CC(CCI)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
ESR2 Q92731 6/20 0.55
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
MIF P14174 1/20 0.47
CYP2C9 P11712 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL15082166 0.82 ESR1 (0.59) ESR1ESR2PDCD1CD274MIF
SCHEMBL93780 0.80 ESR1 (0.57) ESR1ESR2PDCD1CD274MIF
SCHEMBL679829 0.80 ESR1 (0.57) ESR1ESR2PDCD1CD274MIF
SCHEMBL9412151 0.80 ESR1 (0.57) ESR1ESR2PDCD1CD274MIF
SCHEMBL28477538 0.80 ESR1 (0.57) ESR1ESR2PDCD1CD274MIF
SCHEMBL4916342 0.78 ESR1 (0.55) ESR1ESR2PDCD1CD274MIF
SCHEMBL12152079 0.78 ESR1 (0.55) ESR1ESR2PDCD1CD274MIF
SCHEMBL11464625 0.78 ESR1 (0.55) ESR1ESR2PDCD1CD274MIF
SCHEMBL3653417 0.78 ESR1 (0.55) ESR1ESR2PDCD1CD274MIF
SCHEMBL7492813 0.77 RIPK1 (0.57) TAAR1

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 3 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
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 ESR1 328/4885ESR2 1859/4885PDCD1 4149/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 ESR1 328/4885ESR2 1859/4885PDCD1 4149/4885

“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.