SCHEMBL15957658

SCHEMBL15957658

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
HSD11B1 P28845 9/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL15957686 0.87 ALOX15 (0.41) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL20934761 0.87 AR (0.40) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL15957675 0.85 SMN1; SMN2 (0.42) ARHSD11B1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL15831663 0.83 PGK1 (0.47) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL15957626 0.82 SMN1; SMN2 (0.43) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL17286720 0.82 LMNA (0.39) ARHSD11B1PDK1PDK2PDK3
SCHEMBL17286707 0.81 ALOX15 (0.41) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL15957699 0.80 NOTUM (0.39) ARHSP90AA1ALDH1A1
SCHEMBL26601786 0.79 AR (0.38) ARHSD11B1SMN1; SMN2PGK1PGK2
SCHEMBL16838070 0.78 PGK1 (0.42) ARHSD11B1SMN1; SMN2PGK1PGK2

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 4258/4885HSD11B1 4548/4885SMN1; 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.