SCHEMBL21758181

SCHEMBL21758181

CC1=CC(C)C(C)C=C1c1ccc2c(c1)c1ccccc1n2-c1cnccc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(-c3ccc(C)cc3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGER4 P35408 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
SCHEMBL21758718 0.91 CYP11B2 (0.42) CYP11B1CYP11B2PTGER4
SCHEMBL21758610 0.87 KCNH2 (0.32) PTGER4
SCHEMBL21758692 0.86 CYP11B2 (0.43) CYP11B1CYP11B2PTGER4
SCHEMBL21758721 0.86 CYP11B2 (0.46) CYP11B1CYP11B2
SCHEMBL21758566 0.83 CYP11B2 (0.44) CYP11B1CYP11B2PTGER4
SCHEMBL21758560 0.82 CYP11B2 (0.44) CYP11B1CYP11B2PTGER4
SCHEMBL21758183 0.82 CYP11B2 (0.41) CYP11B1CYP11B2PTGER4
SCHEMBL21758567 0.82 PTGER4 (0.38) CYP11B1CYP11B2PTGER4
SCHEMBL21758687 0.82 CYP11B2 (0.46) CYP11B1CYP11B2
SCHEMBL21758717 0.82 CYP11B2 (0.36) CYP11B1CYP11B2PTGER4

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 CYP11B1 1224/4885CYP11B2 1243/4885PTGER4 1728/4885

“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.