SCHEMBL13965868

SCHEMBL13965868

CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ REN P00797 10/20 0.32
▸ PRKCQ Q04759 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL13965872 0.93 TOP1 (0.33) PDK2
SCHEMBL13965941 0.93 RXFP1 (0.32) PDK2
SCHEMBL13965949 0.93 KDM4E (0.35) PGRKDM4EL3MBTL1PDE4APDE4B
SCHEMBL13965874 0.91 PGR (0.31) PGRPRKCQPDK2
SCHEMBL13965883 0.90 — —
SCHEMBL13965893 0.90 PDK2 (0.35) KDM4EPDK2
SCHEMBL13965959 0.89 TOP1 (0.32) PDK2
SCHEMBL13965890 0.89 KDM4E (0.34) KDM4EL3MBTL1PDE4APDE4BPDE4C
SCHEMBL13974891 0.88 PGR (0.34) PGRPDE4APDE4BPDE4DPDK2
SCHEMBL13965871 0.88 MAPK10 (0.33) KDM4EL3MBTL1MEN1ALDH1A1TSHR

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 PGR 1066/4885KDM4E 3176/4885L3MBTL1 2054/4885

“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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