SCHEMBL15957692

SCHEMBL15957692

Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 4/20 0.38
CYP1A2 P05177 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL17286707 0.92 ALOX15 (0.41) ARALDH1A1ALOX15CYP1A2SMN1; SMN2
SCHEMBL15831663 0.87 PGK1 (0.47) ARCYP1A2SMN1; SMN2PGK1PGK2
SCHEMBL15957877 0.82 SMN1; SMN2 (0.43) ARALDH1A1ALOX15CYP1A2SMN1; SMN2
SCHEMBL16838070 0.82 PGK1 (0.42) ARSMN1; SMN2PGK1PGK2HSP90AA1
SCHEMBL16838072 0.80 PGK1 (0.41) ARSMN1; SMN2PGK1PGK2HSP90AA1
SCHEMBL19765493 0.79 PGK1 (0.39) ARALDH1A1ALOX15CYP1A2SMN1; SMN2
SCHEMBL15957664 0.78 CYP3A4 (0.43) ARALDH1A1ALOX15CYP1A2SMN1; SMN2
SCHEMBL15957686 0.78 ALOX15 (0.41) ARALDH1A1ALOX15CYP1A2SMN1; SMN2
SCHEMBL15957626 0.78 SMN1; SMN2 (0.43) ARALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL19765499 0.76 ESR1 (0.48) ARALDH1A1ALOX15CYP1A2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AR 4258/4885ALDH1A1 181/4885ALOX15 616/4885

“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.