SCHEMBL12735009

SCHEMBL12735009

CCOc1ccc(C2CCC(CCc3ccc(C4CCC(CC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
FFAR1 O14842 4/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL12739757 0.94 HTR2A (0.35) OPRL1CHRNB2CHRNA4FFAR1HTR2A
SCHEMBL12735011 0.94 OPRL1 (0.36) OPRL1CHRNB2CHRNA4FFAR1HTR2A
SCHEMBL12735030 0.93 OPRL1 (0.35) OPRL1CHRNB2CHRNA4FFAR1
SCHEMBL14766328 0.92 OPRL1 (0.35) OPRL1CHRNB2CHRNA4FFAR1
SCHEMBL12735028 0.92 OPRL1 (0.35) OPRL1FFAR1NQO2MTNR1AMTNR1B
SCHEMBL12821253 0.92 OPRL1 (0.35) OPRL1FFAR1
SCHEMBL10302108 0.91 OPRL1 (0.37) OPRL1CHRNB2CHRNA4FFAR1HTR2A
SCHEMBL10302107 0.91 OPRL1 (0.37) OPRL1FFAR1HTR2AHTR2CNQO2
SCHEMBL12735018 0.91 OPRL1 (0.34) OPRL1FFAR1
SCHEMBL12716808 0.90 OPRL1 (0.37) OPRL1FFAR1

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 4 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-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
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 OPRL1 2073/4885CHRNB2 1997/4885CHRNA4 1566/4885

“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.