SCHEMBL13820337

SCHEMBL13820337

c1ccc(-c2cc3ccccc3c3cc4c(-c5cccc(-c6cccnc6)c5)c5ccccc5c(-c5cccc(-c6cccnc6)c5)c4cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.61
GPR84 Q9NQS5 1/20 0.48
CYP11B2 P19099 9/20 0.46
CYP19A1 P11511 2/20 0.46
CYP17A1 P05093 1/20 0.46
TNF P01375 1/20 0.41
MEN1 O00255 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMO O15229 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL13820336 0.92 CYP11B1 (0.68) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820402 0.89 CYP11B1 (0.72) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820408 0.89 CYP11B1 (0.60) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820411 0.88 CYP11B1 (0.67) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820405 0.88 CYP11B1 (0.62) CYP11B1GPR84CYP11B2TNFALDH1A1
SCHEMBL13820457 0.87 CYP11B1 (0.58) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820344 0.87 CYP11B1 (0.46) CYP11B1GPR84TNFMEN1MKNK1
SCHEMBL13820412 0.87 CYP11B1 (0.68) CYP11B1GPR84CYP11B2CYP19A1CYP17A1
SCHEMBL13820454 0.85 CYP11B1 (0.62) CYP11B1GPR84CYP11B2MEN1ALDH1A1
SCHEMBL13820449 0.85 CYP11B1 (0.62) CYP11B1GPR84CYP11B2CYP17A1CYP3A4

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 613/4885GPR84 1320/4885CYP11B2 829/4885

“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.