SCHEMBL12880837

SCHEMBL12880837

CCCCCc1c(-c2cc(F)c(F)c(F)c2)cc2ccccc2c1-c1c(CCCCC)c(-c2cc(F)c(F)c(F)c2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GCGR P47871 9/20 0.39
TLR8 Q9NR97 4/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL12642197 0.88 GCGR (0.41) MAPTGCGRTLR8
SCHEMBL20036835 0.84 GPR84 (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12642230 0.83 GCGR (0.49) MAPTGCGRTLR8CNR1
SCHEMBL12642413 0.80 GCGR (0.50) MAPTGCGRTLR8CNR1
SCHEMBL16256937 0.79 BCHE (0.36) KDM4EALDH1A1
SCHEMBL12642495 0.79 CNR2 (0.42) MAPTGCGRTLR8
SCHEMBL30498972 0.79 GPR84 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12642198 0.77 MAPT (0.39) MAPTGCGRTLR8KDM4EALDH1A1
SCHEMBL12642409 0.77 GCGR (0.51) MAPTGCGRKDM4EALDH1A1GAA
SCHEMBL12642414 0.77 CNR2 (0.45) MAPTTLR8KDM4EHPGD

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-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 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-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES DRD1, DRD4, DRD2 MAPT 3014/4885GCGR 2645/4885TLR8 4281/4885

“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.