SCHEMBL21758712

SCHEMBL21758712

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
CHUK O15111 1/20 0.36
CASP3 P42574 1/20 0.35
CYP19A1 P11511 2/20 0.34
ELANE P08246 3/20 0.33
ACHE P22303 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.32
ABCC9 O60706 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
USP14 P54578 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL21758717 0.94 CYP11B2 (0.36) CYP11B2CYP11B1CHUKELANEACHE
SCHEMBL21758343 0.91 CYP11B2 (0.42) CYP11B2CYP11B1CHUKCASP3CYP19A1
SCHEMBL21758568 0.91 CHUK (0.43) CYP11B2CYP11B1CHUKCASP3CYP19A1
SCHEMBL21758721 0.89 CYP11B2 (0.46) CYP11B2CYP11B1CHUKSLC22A12KDM1A
SCHEMBL21758722 0.88 CYP11B2 (0.40) CYP11B2CYP11B1CHUKCASP3SLC22A12
SCHEMBL18361124 0.87 CASP3 (0.43) CASP3CYP19A1ACHEALDH1A1CYP2A6
SCHEMBL21758156 0.87 CYP11B2 (0.41) CYP11B2CYP11B1CHUKCYP19A1ELANE
SCHEMBL21758339 0.86 CYP19A1 (0.37) CYP11B2CYP11B1CHUKCASP3CYP19A1
SCHEMBL21693153 0.85 ACHE (0.42) CYP11B2CYP11B1ELANEACHEALDH1A1
SCHEMBL21758578 0.85 CYP11B2 (0.40) CYP11B2CYP11B1CHUKCYP19A1SLC22A12

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-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP11B2 1243/4885CYP11B1 1224/4885CHUK 1699/4885

“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.