SCHEMBL13820529

SCHEMBL13820529

c1ccc(-c2cccc(-c3c(-c4cccnc4)c4cc5c(-c6cccnc6)c6ccccc6c(-c6cccnc6)c5cc4c4ccccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.46
CYP19A1 P11511 2/20 0.45
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
KMO O15229 1/20 0.42
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHEK1 O14757 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13820531 0.98 CYP11B1 (0.45) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL13820532 0.96 CYP11B1 (0.43) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL24662782 0.92 CYP19A1 (0.51) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL10030018 0.86 CYP11B1 (0.50) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL10030032 0.86 CYP11B1 (0.50) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL10030047 0.86 CYP11B1 (0.50) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL17227623 0.85 CYP2A6 (0.58) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL29455656 0.85 CYP2A6 (0.58) CYP11B1CYP19A1MKNK1MKNK2MEN1
SCHEMBL13820708 0.85 CYP11B1 (0.58) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2
SCHEMBL13820598 0.85 CYP11B1 (0.58) CYP11B1CYP19A1CYP11B2CYP17A1CYP1A2

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 CYP11B1 613/4885CYP19A1 15/4885MKNK1 3616/4885

“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.