SCHEMBL21889548

SCHEMBL21889548

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-c2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
CYP19A1 P11511 2/20 0.40
CYP17A1 P05093 1/20 0.40
DHODH Q02127 1/20 0.38
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B2 P37059 1/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL30339243 1.00 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL21889549 1.00 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL30339204 1.00 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL21889553 0.94 CYP11B2 (0.38) CYP11B2CYP11B1CYP19A1CYP17A1CCNE2
SCHEMBL30709426 0.91 CYP11B1 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL21889487 0.90 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A2
SCHEMBL30338758 0.90 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A2
SCHEMBL21888633 0.90 MAP2K4 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL30338866 0.90 MAP2K4 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH
SCHEMBL30339223 0.90 MAP2K4 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1DHODH

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
EP-3642303-B1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2021-04-14 EP disclosed
US-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, NDUFV3, SLCO1B3 CYP11B2 1254/4885CYP11B1 1985/4885CYP19A1 1382/4885

“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.