SCHEMBL13199152

SCHEMBL13199152

Cc1cc(C)cc(C(F)(F)CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 3/20 0.36
GRIN2B Q13224 1/20 0.34
IDH1 O75874 1/20 0.33
HSPA5 P11021 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TPMT P51580 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL26806630 0.90 TSHR (0.46) PGK1PGK2CNR1CNR2ALDH1A1
SCHEMBL26530729 0.87 PGK1 (0.37) PGK1PGK2CNR1CNR2IDH1
SCHEMBL13199326 0.79 ESR1 (0.50) ALDH1A1KDM4ECYP2C9CYP2C19CA2
SCHEMBL2008713 0.79 PTPN5 (0.44) CNR1CNR2CYP2C9CYP2C19
SCHEMBL13199331 0.77 POLB (0.46) ALDH1A1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL14621176 0.76 TSHR (0.44) CNR1CNR2ALDH1A1TSHRCYP2C9
SCHEMBL13199245 0.74
SCHEMBL15678401 0.73 CNR2 (0.56) PGK1PGK2CNR1CNR2ALDH1A1
SCHEMBL31306520 0.73 CA12 (0.38)
SCHEMBL13199241 0.73 ALDH1A1 (0.39) CNR1CNR2ALDH1A1POLBPRSS1

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 5 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-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
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO 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 2718/4885CNR1 4339/4885

“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.