SCHEMBL21476417

SCHEMBL21476417

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5cc6ccccc6o5)cc4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
CYP19A1 P11511 3/20 0.48
CYP17A1 P05093 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PGR P06401 1/20 0.47
MCL1 Q07820 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
S1PR1 P21453 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
CA1 P00915 1/20 0.45

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
SCHEMBL21476611 0.95 PGR (0.52) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23335204 0.95 CYP19A1 (0.48) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23334648 0.94 CYP11B2 (0.56) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21480657 0.94 CYP19A1 (0.48) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476621 0.93 ALDH1A1 (0.44) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476771 0.90 PGR (0.52) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476558 0.89 PGR (0.49) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476767 0.89 MAOB (0.62) MAOBCYP19A1ALDH1A1NPC1RAB9A
SCHEMBL23334980 0.88 MCL1 (0.52) MAOBCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23334475 0.88 CYP11B2 (0.52) MAOBCYP19A1CYP17A1CYP11B1CYP11B2

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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-06 US disclosed
WO-2019198806-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2019-10-17 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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, MLX, LEF1 MAOB 2115/4885CYP19A1 931/4885CYP17A1 2789/4885

“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.