SCHEMBL12567487

SCHEMBL12567487

COc1cc(OC)cc(-c2c3c(c(-c4cc(OC)cc(OC)c4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cc4ccccc4cc3c2-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
VDR P11473 1/20 0.39
AHR P35869 1/20 0.39
NR1I3 Q14994 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38

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
SCHEMBL12546779 0.93 GPR84 (0.36) CASP3SENP7ESR1ESR2GPR84
SCHEMBL21704881 0.83 GPR84 (0.37) CASP3SENP7GPR84CYP1A2CYP3A4
SCHEMBL29152124 0.81 CYP1A2 (0.55) CASP3SENP7CYP1A2CYP3A4CYP2C9
SCHEMBL17828550 0.77 ABL1 (0.46) GPR84CYP3A4SMN1; SMN2NPC1MAPT
SCHEMBL5599147 0.76 CYP1A2 (0.56) CASP3SENP7CYP1A2CYP3A4CYP2C9
SCHEMBL12546551 0.76 ESR1 (0.38) ESR1ESR2GPR84CYP1A2CYP3A4
SCHEMBL134695 0.75 ACHE (0.47) ABL1ABCB1BCRACACAALOX5
SCHEMBL24605401 0.74 CYP11B1 (0.45) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL12567615 0.73 ESR1 (0.43) ESR1ESR2TDP1
SCHEMBL19765465 0.73 CYP1A2 (0.44) CASP3SENP7ESR1ESR2GPR84

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 CASP3 2531/4885SENP7 1808/4885ESR1 12/4885

“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.