SCHEMBL13820733

SCHEMBL13820733

COc1ccc2cc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccc5cc(OC)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.51
CYP11B1 P15538 4/20 0.51
CYP1A2 P05177 4/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP17A1 P05093 3/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL13820654 1.00 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL13820680 0.94 PLAU (0.45) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL13820753 0.94 PLAU (0.45) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL13820546 0.92 CYP11B2 (0.57) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363720 0.91 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363713 0.91 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363724 0.90 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363723 0.90 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363711 0.88 CYP1A2 (0.49) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9
SCHEMBL14363732 0.87 CYP11B2 (0.52) CYP11B2CYP11B1CYP1A2CYP2A6CYP2C9

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-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 US disclosed
US-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 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-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, OR51E2 CYP11B2 829/4885CYP11B1 613/4885CYP1A2 50/4885

“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.