SCHEMBL10043124

SCHEMBL10043124

CCCCCC1CCC(C2CCC(c3ccc(C4CCC(c5ccc(CC)c(F)c5)CC4)c(F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.37
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL10043273 1.00 OPRL1 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10043277 0.99 OPRL1 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10043128 0.99 OPRL1 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13636733 0.94 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTHRH3
SCHEMBL10043317 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTHRH3
SCHEMBL10043109 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTHRH3
SCHEMBL10043090 0.93 OPRL1 (0.41) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10043276 0.92 OPRL1 (0.37) OPRL1CYP2C9
SCHEMBL10043125 0.92 OPRL1 (0.37) OPRL1CYP2C9MAPT
SCHEMBL10043129 0.92 OPRL1 (0.37) OPRL1CYP2C9

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 OPRL1 2105/4885CYP2C9 3544/4885ALDH1A1 1115/4885

“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.