SCHEMBL15957686

SCHEMBL15957686

Cc1cc(O)c(C(C)(O)C(F)(F)F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 3/20 0.40
CYP1A2 P05177 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL15957658 0.87 AR (0.44) ALDH1A1SMN1; SMN2ARCYP1A2HSP90AA1
SCHEMBL17286707 0.86 ALOX15 (0.41) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL17286715 0.85 ALDH1A1 (0.44) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL15957891 0.81 SMN1; SMN2 (0.44) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL17286714 0.79 ALOX15 (0.44) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL20934761 0.79 AR (0.40) SMN1; SMN2ARHSP90AA1HSD11B1PGK1
SCHEMBL15957675 0.78 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP3A4MAPK1TSHR
SCHEMBL15957692 0.78 AR (0.39) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL15831663 0.76 PGK1 (0.47) SMN1; SMN2ARCYP1A2HSP90AA1CYP2C9
SCHEMBL12197682 0.75 ALDH1A1 (0.47) ALOX15ALDH1A1SMN1; SMN2TSHRAR

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-9464163-B2 Novolak resin containing hexafluoroisopropanol group, method for producing same, and composition of same CENTRAL GLASS COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20150337077-A1 Novolak Resin Containing Hexafluoroisopropanol Group, Method for Producing Same, and Composition of Same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-11-26 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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 (1 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ALOX15 616/4885ALDH1A1 181/4885SMN1; SMN2 3546/4885

“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.