SCHEMBL11933544

SCHEMBL11933544

CCCCCOc1ccc(C(=O)Oc2ccc(C3=CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP2C9 P11712 1/20 0.32
THRB P10828 1/20 0.31
PTPN1 P18031 1/20 0.30
SCN9A Q15858 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
SCHEMBL11933500 1.00 CNR1 (0.32) CNR1CNR2CYP2C9THRBPTPN1
SCHEMBL11933502 0.99 CNR1 (0.33) CNR1CNR2CYP2C9THRBPTPN1
SCHEMBL11933546 0.99 CNR1 (0.33) CNR1CNR2CYP2C9THRBPTPN1
SCHEMBL11933506 0.97 SCN9A (0.32) CNR1CNR2SCN9A
SCHEMBL11933543 0.97 SCN9A (0.32) CNR1CNR2SCN9A
SCHEMBL11933499 0.95 CNR1 (0.30) CNR1CNR2
SCHEMBL11933542 0.95 CNR1 (0.30) CNR1CNR2
SCHEMBL18175604 0.94 CNR2 (0.33) CNR1CNR2CYP2C9THRBPTPN1
SCHEMBL18175624 0.94 CNR2 (0.33) CNR1CNR2CYP2C9THRBPTPN1
SCHEMBL18175601 0.94 CNR1 (0.35) CNR1CNR2CYP2C9THRBPTPN1

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 CNR1 254/4885CNR2 474/4885CYP2C9 585/4885

“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.