SCHEMBL21717872

SCHEMBL21717872

Cc1ccc(-c2ccccc2)cc1-c1ccc2c(c1)c1cccc3c4cc5ccc(-c6cc7c8cc(C#N)ccc8n8c9cc%10ccccc%10cc9c(c6)c78)cc5cc4n2c13

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ABL1 P00519 1/20 0.35
ENPP3 O14638 1/20 0.34
CHEK1 O14757 1/20 0.33
CYP17A1 P05093 1/20 0.32
PTGER4 P35408 1/20 0.32
MARK3 P27448 1/20 0.32
GSK3A P49840 1/20 0.32
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL21717870 0.88 ENPP3 (0.39) CYP11B1CYP11B2ABL1ENPP3CHEK1
SCHEMBL22679611 0.86 KDM4E (0.34) CHEK1PGRCA1CA2
SCHEMBL25005683 0.82 CYP17A1 (0.39) CYP11B1CYP11B2ENPP3CHEK1CYP17A1
SCHEMBL21718123 0.82 CYP17A1 (0.40) CYP11B1CYP11B2CHEK1CYP17A1PGR
SCHEMBL19564965 0.82 CYP17A1 (0.40) CYP11B1CYP11B2CHEK1CYP17A1PGR
SCHEMBL19564966 0.82 CYP17A1 (0.40) CYP11B1CYP11B2CHEK1CYP17A1PGR
SCHEMBL21718126 0.82 CYP17A1 (0.40) CYP11B1CYP11B2CHEK1CYP17A1PGR
SCHEMBL20851960 0.81 CYP1A2 (0.32) CYP11B1CYP11B2
SCHEMBL21710470 0.81 ENPP3 (0.40) CYP11B1CYP11B2ABL1ENPP3CHEK1
SCHEMBL19563785 0.81 ENPP3 (0.38) CYP11B1CYP11B2ABL1ENPP3CHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 CYP11B1 1468/4885CYP11B2 1438/4885ABL1 2675/4885

“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.