SCHEMBL21758610

SCHEMBL21758610

CC1=CC(C)C(C)C=C1c1ccc2c(c1)c1ccccc1n2-c1cccnc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(-c3ccc(C)cc3C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
PDE4A P27815 2/20 0.32
PTGER4 P35408 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
ELANE P08246 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
SCHEMBL21758727 0.87 KCNH2 (0.37) KCNH2PDE4ADDB1CRBNELANE
SCHEMBL21758181 0.87 CYP11B1 (0.35) PTGER4
SCHEMBL21758232 0.83 PTGER4 (0.37) KCNH2PDE4APTGER4DDB1CRBN
SCHEMBL21758597 0.82 PTGER4 (0.36) KCNH2PDE4APTGER4DDB1CRBN
SCHEMBL21758233 0.82 PTGER4 (0.37) PTGER4DDB1CRBNELANE
SCHEMBL21758187 0.82 IDO1 (0.37) PDE4APTGER4DDB1CRBNELANE
SCHEMBL21758234 0.81 ELANE (0.39) PTGER4DDB1CRBNELANE
SCHEMBL21758615 0.80 PTGER4 (0.37) PDE4APTGER4DDB1CRBNELANE
SCHEMBL21758598 0.79 SMO (0.35) KCNH2PDE4APTGER4DDB1CRBN
SCHEMBL21758191 0.78 IDO1 (0.37) PDE4ADDB1CRBNELANE

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 KCNH2 1742/4885PDE4A 4878/4885PTGER4 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.