SCHEMBL21709136

SCHEMBL21709136

c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)n3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.74
CYP11B2 P19099 7/20 0.51
CYP19A1 P11511 2/20 0.51
CYP17A1 P05093 1/20 0.51
CYP2A6 P11509 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DHODH Q02127 1/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL19268242 0.94 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL24252593 0.93 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL30857455 0.93 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL24252242 0.93 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17918052 0.93 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17918051 0.92 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL19486741 0.92 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17807971 0.92 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL19650642 0.92 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17932357 0.92 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6

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-20220199911-A1 AN ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-06-23 US disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO 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-20220199911-A1 AN ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT AND AN ELECTRONIC DEVICE THEREOF ESR1, EML4, OCIAD1 CYP11B1 736/4885CYP11B2 575/4885CYP19A1 174/4885

“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.