SCHEMBL21758178

SCHEMBL21758178

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccncc1-c1cc(C#N)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP19A1 P11511 3/20 0.38
CSNK1D P48730 6/20 0.37
CSNK1G2 P78368 5/20 0.37
SLC22A12 Q96S37 4/20 0.36
KIF11 P52732 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CHUK O15111 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GSK3B P49841 1/20 0.35
CASP3 P42574 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL21758174 0.94 RORC (0.36) CYP11B2CYP11B1CYP19A1CSNK1DCSNK1G2
SCHEMBL21758704 0.93 SLC22A12 (0.38) CYP11B2CYP11B1CYP19A1CSNK1DCSNK1G2
SCHEMBL21758339 0.92 CYP19A1 (0.37) CYP11B2CYP11B1CYP19A1CSNK1DCSNK1G2
SCHEMBL21758493 0.89 CYP3A4 (0.39) CYP11B2CYP11B1CYP19A1SLC22A12KIF11
SCHEMBL21758491 0.89 CHUK (0.43) CYP11B2CYP11B1CYP19A1SLC22A12CHUK
SCHEMBL18361007 0.89 KIF11 (0.45) CYP11B2CYP19A1CSNK1DCSNK1G2KIF11
SCHEMBL21758702 0.88 SLC22A12 (0.35) CYP11B2CYP11B1CYP19A1CSNK1DCSNK1G2
SCHEMBL21693363 0.87 KIF11 (0.37) KIF11
SCHEMBL21758335 0.87 RORC (0.35) CYP11B2CYP11B1CYP19A1CSNK1DCSNK1G2
SCHEMBL21758343 0.85 CYP11B2 (0.42) CYP11B2CYP11B1CYP19A1SLC22A12CHUK

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-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 1224/4885CYP19A1 2762/4885

“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.