SCHEMBL3267937

SCHEMBL3267937

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc([C@H]4CC[C@H](CCC)CC4)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
CNR1 P21554 3/20 0.31
SCN9A Q15858 3/20 0.31
RIPK1 Q13546 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL12994090 1.00 CNR2 (0.32) CNR2ALDH1A1MAPTHTTHTR2A
SCHEMBL3269626 1.00 CNR2 (0.32) CNR2ALDH1A1MAPTHTTHTR2A
SCHEMBL12994095 1.00 CNR2 (0.32) CNR2ALDH1A1MAPTHTTHTR2A
SCHEMBL16270983 0.92 RIPK1 (0.35) ALDH1A1MAPTHTTHTR2AHTR2C
SCHEMBL21787346 0.91 CNR2 (0.36) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL19421005 0.89 OPRL1 (0.30)
SCHEMBL22277170 0.89 OPRL1 (0.30)
SCHEMBL12740620 0.89 HTR2A (0.34) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL12735773 0.89 HTR2A (0.34) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL16270982 0.89 RIPK1 (0.37) ALDH1A1MAPTHTTHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CNR2 1726/4885ALDH1A1 4574/4885MAPT 271/4885

“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.