SCHEMBL12716807

SCHEMBL12716807

CCCCCC1CCC(c2ccc(CCC3CCC(c4ccc(OC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
OPRL1 P41146 7/20 0.35
HTR2A P28223 1/20 0.35
FFAR1 O14842 7/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12739755 0.95 MEN1 (0.37) CNR1CNR2HTR2AFFAR1MEN1
SCHEMBL12889584 0.94 CNR2 (0.41) CNR1CNR2OPRL1HTR2AFFAR1
SCHEMBL12735018 0.91 OPRL1 (0.34) CNR1CNR2OPRL1FFAR1
SCHEMBL12716808 0.90 OPRL1 (0.37) OPRL1FFAR1MEN1POLBHTT
SCHEMBL19722481 0.89 OPRL1 (0.41) OPRL1HTR2AFFAR1
SCHEMBL12736665 0.88 NAAA (0.34) CNR1CNR2OPRL1FFAR1MEN1
SCHEMBL10302106 0.88 FFAR1 (0.38) OPRL1FFAR1MEN1POLBHTT
SCHEMBL12822990 0.87 OPRL1 (0.36) OPRL1FFAR1MEN1POLBHTT
SCHEMBL12735025 0.87 FFAR1 (0.39) OPRL1FFAR1MEN1POLBHTT
SCHEMBL12738392 0.86 CNR1 (0.31) CNR1CNR2FFAR1

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 3 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 EP 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 CNR1 582/4885CNR2 686/4885OPRL1 2073/4885

“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.