SCHEMBL12736612

SCHEMBL12736612

CCCCCOc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
CNR2 P34972 4/20 0.31
CNR1 P21554 3/20 0.31
SCN9A Q15858 1/20 0.31
NAAA Q02083 1/20 0.31
FPR2 P25090 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
SCHEMBL12740214 1.00 HTR1A (0.31) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12740218 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12736615 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12736614 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12740215 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12740217 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12736616 0.99 CNR2 (0.32) HTR1ACNR2CNR1SCN9ANAAA
SCHEMBL12740212 0.97 SCN9A (0.33) HTR1ASCN9ANAAA
SCHEMBL12736610 0.97 SCN9A (0.33) HTR1ASCN9ANAAA
SCHEMBL14922571 0.92 SCN9A (0.35) HTR1ASCN9ANAAA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HTR1A 484/4885CNR2 686/4885CNR1 582/4885

“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.