SCHEMBL10163129

SCHEMBL10163129

COC1=c2c[n+](C)c3c(cc(-c4ccccc4)c4cc(OC)c(OC)cc43)c2=CCC1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.35
▸ ACACA Q13085 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ RET P07949 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL10161706 0.82 RAD52 (0.32) RAD52
SCHEMBL10163131 0.78 RAD52 (0.32) RAD52ACACA
SCHEMBL10161708 0.78 RAD52 (0.30) RAD52
SCHEMBL10161703 0.74 ALDH1A1 (0.31) MEN1NPC1RAB9AKMT2A
SCHEMBL10163075 0.73 TUBB4A (0.33) MEN1KMT2A
SCHEMBL10163077 0.73 TUBB4A (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL13283980 0.71 RAC1 (0.56) RAD52ACACAEGFRIDO1MEN1
SCHEMBL10132725 0.70 RAC1 (0.46) RAD52ACACAEGFRIDO1MEN1
SCHEMBL13284132 0.69 RAC1 (0.54) RAD52ACACAIDO1MEN1NPC1
SCHEMBL10132291 0.67 RAD52 (0.39) RAD52ACACAMEN1NPC1RAB9A

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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 — — 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH RAD52 768/4885ACACA 4114/4885EGFR 2746/4885

“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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