SCHEMBL15957706

SCHEMBL15957706

Cc1cc(C(F)(F)C(=O)Cl)cc(C(F)(F)C(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.48
PGK2 P07205 1/20 0.48
CES2 O00748 2/20 0.40
MAPT P10636 1/20 0.36
IDH1 O75874 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
TPMT P51580 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
P2RX1 P51575 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL15957721 0.92 PGK1 (0.43) PGK1PGK2CES2MAPTIDH1
SCHEMBL2295520 0.89 CES2 (0.48) PGK1PGK2CES2MAPTRXRA
SCHEMBL15957705 0.80 PGK1 (0.50) PGK1PGK2CES2MAPTTAS2R14
SCHEMBL13199202 0.79 RXRA (0.41) CES2RXRARXRBP2RX1TMPRSS4
SCHEMBL17231782 0.76 CES2 (0.44) PGK1PGK2CES2MAPTTAS2R14
SCHEMBL13199172 0.76 PGK1 (0.47) PGK1PGK2CES2MAPTP2RX1
SCHEMBL26087549 0.76 PGK1 (0.45) PGK1PGK2CES2MAPTTAS2R14
SCHEMBL15994635 0.75 ALDH1A1 (0.44) CES2RXRARXRBTMPRSS4KMT2A
SCHEMBL15957707 0.74 CES2 (0.42) PGK1PGK2CES2MEN1KMT2A
SCHEMBL12055235 0.74 CES2 (0.50) PGK1PGK2CES2MAPTTAS2R14

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 PGK1 3551/4885PGK2 2718/4885CES2 2110/4885

“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.