SCHEMBL13239294

SCHEMBL13239294

C/C=C/c1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
NFE2L2 Q16236 4/20 0.35
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
PTGES O14684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.33

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
SCHEMBL13239282 0.89 CNR2 (0.37) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL13412062 0.89 CNR2 (0.37) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL4434166 0.87 NFE2L2 (0.46) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL20888423 0.87 NFE2L2 (0.46) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL11957388 0.87 NFE2L2 (0.46) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL12230850 0.87 NFE2L2 (0.46) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL13412035 0.86 TUBB1 (0.37) CNR2NFE2L2KDM4EALDH1A1CYP3A4
SCHEMBL13412063 0.86 PDK2 (0.38) CNR2NFE2L2KDM1AHDAC1HDAC6
SCHEMBL4567622 0.82 ALDH1A1 (0.37) KDM1AHDAC1HDAC6ALDH1A1TP53
SCHEMBL24122285 0.80 ALOX5 (0.39) CNR2KDM4EALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-7635505-B2 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2009-12-22 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080128653-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-06-05 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-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 CNR2 2238/4885NFE2L2 3480/4885KDM1A 4274/4885

“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.