SCHEMBL10161707

SCHEMBL10161707

COC1=c2c[n+](C)c3c(ccc4c(C5CC5)c(OC)c(OC)cc43)c2=CCC1OC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ BCHE P06276 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ATP2A1 O14983 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL10161703 0.95 ALDH1A1 (0.31) ALDH1A1BCHEMAPTHPGDACHE
SCHEMBL10161706 0.82 RAD52 (0.32) RAD52
SCHEMBL10163075 0.80 TUBB4A (0.33) MAPTKMT2AMEN1
SCHEMBL10163077 0.80 TUBB4A (0.33) ALDH1A1BCHEMAPTHPGDACHE
SCHEMBL10163082 0.79 POLB (0.35) ALDH1A1HPGDMAPK1SMN1; SMN2NPC1
SCHEMBL10163076 0.78 GAA (0.34) ALDH1A1MAPTMAPK1RAD52
SCHEMBL10161708 0.77 RAD52 (0.30) RAD52
SCHEMBL10163129 0.76 RAD52 (0.35) KMT2AMEN1NPC1RAB9ARAD52
SCHEMBL10163107 0.74 RAC1 (0.56) ALDH1A1BCHEMAPTHPGDACHE
SCHEMBL10132680 0.72 RAC1 (0.45) ALDH1A1BCHEMAPTHPGDACHE

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 ALDH1A1 3095/4885BCHE 3184/4885MAPT 4875/4885

“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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