SCHEMBL13965893

SCHEMBL13965893

CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5cc6c(cc5c5ncccc54)C(C)(C)c4ccccc4-6)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.35
▸ AR P10275 1/20 0.30
▸ TOP1 P11387 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ COMT P21964 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
SCHEMBL13965873 0.95 PDK2 (0.36) PDK2TOP1
SCHEMBL13965872 0.95 TOP1 (0.33) PDK2TOP1
SCHEMBL13965929 0.93 PDK2 (0.31) PDK2
SCHEMBL13965959 0.91 TOP1 (0.32) PDK2TOP1
SCHEMBL13965890 0.90 KDM4E (0.34) KDM4E
SCHEMBL13965949 0.90 KDM4E (0.35) KDM4E
SCHEMBL13965868 0.90 PGR (0.34) PDK2KDM4E
SCHEMBL13965879 0.89 PDK2 (0.41) PDK2
SCHEMBL13965874 0.88 PGR (0.31) PDK2
SCHEMBL13965941 0.88 RXFP1 (0.32) PDK2

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
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — US disclosed
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — 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-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device DDT, SUN2, CYP1B1 PDK2 337/4885AR 1960/4885TOP1 2547/4885

“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.

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