SCHEMBL21709035

SCHEMBL21709035

c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
CYP2A6 P11509 5/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP11B2 P19099 4/20 0.55
CYP11B1 P15538 3/20 0.55
CYP17A1 P05093 1/20 0.55
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
DHODH Q02127 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
NTSR1 P30989 1/20 0.52
KIF11 P52732 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL17945297 0.96 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24527291 0.96 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL19638034 0.96 CYP19A1 (0.66) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL19543768 0.95 CYP19A1 (0.59) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL28674039 0.93 CYP19A1 (0.67) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL21623613 0.93 CYP19A1 (0.71) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24590289 0.93 CYP19A1 (0.71) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL9975321 0.92 CYP19A1 (0.63) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL19486671 0.92 CYP19A1 (0.65) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24252576 0.92 CYP19A1 (0.60) CYP19A1CYP2A6ALDH1A1CYP1A2CYP3A4

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 CYP19A1 174/4885CYP2A6 1639/4885ALDH1A1 1210/4885

“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.