SCHEMBL12823979

SCHEMBL12823979

CCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FDFT1 P37268 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
FPR2 P25090 1/20 0.32
MAPT P10636 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
SCHEMBL12822555 1.00 ALOX5AP (0.39) ALOX5APFEN1CCNCCDK8FDFT1
SCHEMBL12823442 0.93 ALOX5AP (0.38) ALOX5APFEN1CCNCCDK8FDFT1
SCHEMBL12742477 0.89 ALOX5AP (0.42) ALOX5APFEN1CCNCCDK8FPR2
SCHEMBL12737388 0.89 ALOX5AP (0.42) ALOX5APFEN1CCNCCDK8FPR2
SCHEMBL12742468 0.89 ALOX5AP (0.42) ALOX5APFEN1OXTRAVPR1AFPR2
SCHEMBL12737385 0.89 ALOX5AP (0.42) ALOX5APFEN1OXTRAVPR1AFPR2
SCHEMBL12823696 0.89 ALOX5AP (0.40) ALOX5APFEN1CCNCCDK8FPR2
SCHEMBL12821274 0.88 ALOX5AP (0.35) ALOX5APFEN1CCNCCDK8FDFT1
SCHEMBL13586454 0.88 ALOX5AP (0.37) ALOX5APFEN1OXTRAVPR1AFPR2
SCHEMBL12821284 0.88 MAPT (0.33) ALOX5APFEN1CCNCCDK8FDFT1

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 ALOX5AP 1673/4885FEN1 3340/4885CCNC 454/4885

“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.