SCHEMBL17916601

SCHEMBL17916601

CCCC1CCC(C2CCC(O)(c3ccc(CC)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
TLR4 O00206 2/20 0.34
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL2909182 0.87 OPRL1 (0.36) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL2909177 0.87 OPRL1 (0.36) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL14494616 0.87 OPRL1 (0.36) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL2909179 0.87 OPRL1 (0.36) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL20808304 0.84 OPRL1 (0.39) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL20797012 0.84 OPRL1 (0.39) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL20808301 0.84 OPRL1 (0.39) OPRM1OPRK1OPRL1TLR4CYP2C9
SCHEMBL20808413 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL20808415 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL20797235 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4

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-10221114-B2 Liquid crystal compound having tetrafluoro cyclohexadiene structure showing negative anisotropy, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2019-03-05 US disclosed
US-20160200980-A1 LIQUID CRYSTAL COMPOUND HAVING TETRAFLUORO CYCLOHEXADIENE STRUCTURE SHOWING NEGATIVE ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-07-14 US disclosed
US-20160200980-A1 LIQUID CRYSTAL COMPOUND HAVING TETRAFLUORO CYCLOHEXADIENE STRUCTURE SHOWING NEGATIVE ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-07-14 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-20160200980-A1 LIQUID CRYSTAL COMPOUND HAVING TETRAFLUORO CYCLOHEXADIENE STRUCTURE SHOWING NEGATIVE ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, CNOT1, OCIAD1 OPRM1 721/4885OPRK1 926/4885OPRL1 1378/4885
US-10221114-B2 Liquid crystal compound having tetrafluoro cyclohexadiene structure showing negative anisotropy, liquid crystal composition, and liquid crystal display device OCIAD2, CNOT1, OCIAD1 OPRM1 721/4885OPRK1 926/4885OPRL1 1378/4885

“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.