SCHEMBL12546554

SCHEMBL12546554

Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2cc3c(-c5cc(C)cc(C(F)(F)F)c5)c5ccccc5c(-c5cc(C)cc(C(F)(F)F)c5)c3cc2-4)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.33
NOTUM Q6P988 1/20 0.33
NFE2L2 Q16236 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
IKBKB O14920 1/20 0.30
BRD4 O60885 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12567462 0.97 ENPP1 (0.33) ENPP1NOTUMNFE2L2CNR1CNR2
SCHEMBL12546808 0.85 ESR1 (0.39) ENPP1TDP1
SCHEMBL13496248 0.84 ESR1 (0.39) ENPP1CNR1CNR2TDP1
SCHEMBL24211024 0.83 NOTUM (0.42) ENPP1NOTUMNFE2L2TAS2R14CNR1
SCHEMBL12546368 0.80 ENPP1 (0.38) ENPP1NFE2L2CNR1CNR2IKBKB
SCHEMBL12367186 0.79 ENPP1 (0.38) ENPP1
SCHEMBL10005266 0.77 NOTUM (0.35) ENPP1NOTUMNFE2L2TAS2R14CNR1
SCHEMBL12546596 0.77 ESR1 (0.35) ENPP1TDP1
SCHEMBL12567615 0.75 ESR1 (0.43) ENPP1CNR1CNR2TDP1
SCHEMBL13932251 0.74 TDP1 (0.40) ENPP1CNR1CNR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288016-B2 Fused polycyclic compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2012-10-16 US disclosed
US-20110127908-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-06-02 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-20110127908-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND RPS19, RPL19, RNF168 ENPP1 4630/4885NOTUM 2309/4885NFE2L2 941/4885

“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.