SCHEMBL21476771

SCHEMBL21476771

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.52
CYP19A1 P11511 4/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MCL1 Q07820 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
PSMB5 P28074 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR1 P21453 1/20 0.41
MAOB P27338 2/20 0.41

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) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23335204 0.95 CYP19A1 (0.48) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476417 0.90 MAOB (0.50) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23334648 0.89 CYP11B2 (0.56) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21480591 0.88 MCL1 (0.52) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476778 0.88 ALDH1A1 (0.44) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476558 0.87 PGR (0.49) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476774 0.86 KDM4E (0.48) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21982129 0.84 CYP19A1 (0.59) PGRCYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL21476278 0.84 MAOB (0.53) PGRCYP19A1SMN1; SMN2ALDH1A1HSD17B10

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 PGR 1308/4885CYP19A1 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.