SCHEMBL12376076

SCHEMBL12376076

CCCC1CCC(C2CCC(C3Cc4ccc(C)c(F)c4C(=O)O3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
TLR4 O00206 2/20 0.33
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL12375971 0.99 MAOA (0.34) MAOATLR4OPRM1OPRK1OPRL1
SCHEMBL12375972 0.91 CYP1A2 (0.36) MAOA
SCHEMBL12375970 0.89 MAOA (0.38) MAOA
SCHEMBL12375990 0.86 MAOA (0.37) MAOAOPRM1OPRK1OPRL1
SCHEMBL12376017 0.85 GPR119 (0.35) MAOA
SCHEMBL12376120 0.85 MAOA (0.33) MAOA
SCHEMBL12622304 0.84 CYP2C9 (0.32) TLR4OPRL1
SCHEMBL12622232 0.84 ALDH1A1 (0.32) TLR4
SCHEMBL13635372 0.84 FYN (0.31) TLR4
SCHEMBL12621795 0.84 ALDH1A1 (0.38)

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-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 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-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MAOA 4053/4885TLR4 1726/4885OPRM1 888/4885

“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.