SCHEMBL12733583

SCHEMBL12733583

CCCCCC1CCC(c2ccc(C3CCC(COc4ccc(OCC)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
RIPK1 Q13546 1/20 0.34
CNR1 P21554 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL12733542 1.00 CNR2 (0.35) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL2604707 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL7728037 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL1574929 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL3269906 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL7728041 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL30450387 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL7728045 0.95 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL9405950 0.94 MAPT (0.36) GAAMAPTSCN9A
SCHEMBL8455394 0.94 MAPT (0.38) CNR2GAAMAPTSCN9A

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 CNR2 686/4885HTR2A 841/4885HTR2C 253/4885

“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.