SCHEMBL10043103

SCHEMBL10043103

CCC1CCC(C2CCC(c3ccc(C4CCC(c5ccc(C)cc5)CC4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.36
DGAT1 O75907 1/20 0.33
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL10043292 1.00 OPRL1 (0.36) OPRL1DGAT1CYP2C9ESR1CYP3A4
SCHEMBL10043271 0.90 OPRL1 (0.36) OPRL1DGAT1SLC6A2SLC6A4SLC6A3
SCHEMBL10043122 0.90 OPRL1 (0.36) OPRL1DGAT1SLC6A2SLC6A4SLC6A3
SCHEMBL10043154 0.89 OPRL1 (0.39) OPRL1
SCHEMBL10043145 0.88 OPRL1 (0.37) OPRL1DGAT1CYP2C9
SCHEMBL10043084 0.88 ESR2 (0.37) OPRL1DGAT1ESR2
SCHEMBL12975882 0.88 ESR2 (0.37) OPRL1DGAT1ESR2
SCHEMBL10043334 0.88 OPRL1 (0.37) OPRL1DGAT1CYP2C9
SCHEMBL16546503 0.88 ESR2 (0.37) OPRL1DGAT1ESR2
SCHEMBL17552975 0.87 CYP2C9 (0.43) 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 5 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-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
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
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 WO 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 2105/4885DGAT1 3022/4885CYP2C9 3544/4885

“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.