SCHEMBL12999903

SCHEMBL12999903

CCCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
CHKA P35790 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 3/20 0.31
TYR P14679 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL13000041 0.96 CNR1 (0.34) CNR1CNR2CHKAFFAR4
SCHEMBL13262870 0.95 TYR (0.33) CNR1CNR2CHKAFFAR4ALOX5AP
SCHEMBL12999901 0.92 CTSL (0.36) CHKAFFAR4ALOX5APFEN1CTSL
SCHEMBL15495082 0.91 TYR (0.36) CNR1CNR2TYR
SCHEMBL13000033 0.89 CTSL (0.34) CHKAALOX5APFEN1CTSLCTSS
SCHEMBL12716382 0.89 FFAR4 (0.37) CHKAFFAR4CTSLCTSSCTSK
SCHEMBL12733846 0.89 CHKA (0.36) CHKAFFAR4ALOX5APFEN1
SCHEMBL8934874 0.88 CYP2C9 (0.32) CHKAFFAR4ALOX5APFEN1
SCHEMBL12999896 0.87 CHKA (0.34) CHKAFFAR4ALOX5APFEN1
SCHEMBL8934922 0.87 GAA (0.35) CHKAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CNR1 2494/4885CNR2 2017/4885CHKA 1530/4885

“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.