SCHEMBL10072001

SCHEMBL10072001

CCCC(O)C1CCC(C2CCC(c3ccc(-c4ccc(C5CCC(C6CO6)CC5)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
FASN P49327 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10071714 1.00 APP (0.38) APPCYP3A4CYP2C9FASNCYP2D6
SCHEMBL10072007 0.94 GRM2 (0.31) FASN
SCHEMBL10072006 0.92 APP (0.32) APPFASN
SCHEMBL10071698 0.87
SCHEMBL12975807 0.86 APP (0.38) APPCYP3A4CYP2C9FASNCYP2D6
SCHEMBL10071808 0.85
SCHEMBL13614874 0.80 APP (0.35) APPCYP3A4CYP2C9FASNCYP2D6
SCHEMBL10072198 0.80
SCHEMBL12975940 0.79 HCRTR2 (0.33) FASN
SCHEMBL10072009 0.78

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APP 1767/4885CYP3A4 3528/4885CYP2C9 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.