SCHEMBL13508011

SCHEMBL13508011

c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5oc6cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)ccc6c5c5ccccc5c43)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.41
▸ CYP1B1 Q16678 5/20 0.41
▸ ESR1 P03372 5/20 0.38
▸ ESR2 Q92731 5/20 0.38
▸ CYP1A2 P05177 6/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL13508007 0.96 CYP1A1 (0.43) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL13508220 0.94 CYP1A1 (0.41) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL24582133 0.93 CYP1A1 (0.42) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL13507984 0.91 ERAP1 (0.39) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL17931981 0.90 ESR1 (0.37) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL20127373 0.90 CYP1A1 (0.40) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL13507287 0.90 CYP1A1 (0.40) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL16067699 0.90 CYP1A1 (0.42) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL13508112 0.90 CYP1A1 (0.43) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL17943904 0.89 CYP1A1 (0.39) CYP1A1CYP1B1ESR1ESR2CYP1A2

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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CYP1A1 776/4885CYP1B1 739/4885ESR1 622/4885

“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.

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