SCHEMBL12822708

SCHEMBL12822708

CCCC1CCC(c2ccc(C3CCC(/C=C/c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL12739030 0.86 OPRL1 (0.35) OPRL1ALDH1A1MAPTHTT
SCHEMBL12716156 0.85 CYP2C9 (0.33) OPRL1ALDH1A1MAPT
SCHEMBL12739025 0.85 HDAC3 (0.34) OPRL1ALDH1A1MAPTHTT
SCHEMBL13586207 0.85 BRD4 (0.32) OPRL1
SCHEMBL12821236 0.84 CYP2C9 (0.30)
SCHEMBL12907414 0.83
SCHEMBL12718249 0.83
SCHEMBL12823054 0.83 TUBB1 (0.30)
SCHEMBL12906840 0.83 MAOA (0.31)
SCHEMBL12739044 0.82 TUBB1 (0.40) OPRL1ALDH1A1MAPTHTT

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 OPRL1 2073/4885ALDH1A1 1480/4885MAPT 1075/4885

“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.