SCHEMBL20111618

SCHEMBL20111618

CCCCC1CCC(c2ccc3c(c2F)-c2c-3cc(-c3ccc(C4CCCCC4)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.40
FFAR4 Q5NUL3 1/20 0.35
CYP1A2 P05177 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL20102599 0.94 OPRL1 (0.35) OPRL1FFAR4DGAT1
SCHEMBL20102541 0.83 FFAR4 (0.34) OPRL1FFAR4DGAT1
SCHEMBL20102608 0.82 OPRL1 (0.35) OPRL1FFAR4DGAT1
SCHEMBL20111477 0.81 OPRL1 (0.36) OPRL1CYP1A2
SCHEMBL20102581 0.81 DGAT1 (0.36) OPRL1FFAR4DGAT1
SCHEMBL20111592 0.81 OPRL1 (0.35) OPRL1CYP1A2
SCHEMBL20111329 0.80 OPRL1 (0.40) OPRL1
SCHEMBL20111265 0.78 CAMKK1 (0.36) FFAR4
SCHEMBL20111675 0.78 OPRL1 (0.34) OPRL1CYP1A2
SCHEMBL20117906 0.77 MEN1 (0.31) OPRL1CYP1A2

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S OPRL1 1758/4885FFAR4 309/4885CYP1A2 436/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S OPRL1 1758/4885FFAR4 309/4885CYP1A2 436/4885

“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.