SCHEMBL20111244

SCHEMBL20111244

CC1CCC(c2ccc(-c3ccc4c(c3F)-c3c-4cc(CCC4CCCCC4)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
APP P05067 2/20 0.35
FFAR4 Q5NUL3 2/20 0.33
ESR2 Q92731 2/20 0.32
FASN P49327 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL20111292 0.86 ESR2 (0.35) CYP3A4CYP2C9APPFFAR4ESR2
SCHEMBL20102612 0.82 SPHK1 (0.36) CYP2C9
SCHEMBL20102577 0.79 MEN1 (0.34) CYP3A4CYP2C9FFAR4ESR2
SCHEMBL20111489 0.77
SCHEMBL20102579 0.77 MEN1 (0.33) CYP2C9ESR2
SCHEMBL20111497 0.76 ESR2 (0.45) CYP3A4CYP2C9APPFFAR4ESR2
SCHEMBL20117586 0.74 ALDH1A1 (0.32) FFAR4
SCHEMBL20111248 0.73 QRFPR (0.36)
SCHEMBL20111309 0.73 CYP3A4 (0.40) CYP3A4CYP2C9APPFFAR4
SCHEMBL20111534 0.71 SPHK1 (0.37) FFAR4FASN

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 CYP3A4 576/4885CYP2C9 927/4885APP 1118/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S CYP3A4 576/4885CYP2C9 927/4885APP 1118/4885

“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.