SCHEMBL10132872

SCHEMBL10132872

COc1cc2ccc3c4ccc(C)c(OC)c4c[n+](C)c3c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC1 P63000 6/20 0.63
▸ CDC42 P60953 5/20 0.63
▸ RAD52 P43351 2/20 0.60
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 4/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ BCHE P06276 3/20 0.58
▸ ACHE P22303 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ USP2 O75604 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ ALOX15 P16050 2/20 0.58

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
SCHEMBL13284428 0.89 RAC1 (0.78) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL21278125 0.81 ALDH1A1 (0.79) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL13839324 0.81 RAD52 (0.81) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL17029135 0.81 RAD52 (0.71) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL10132725 0.80 RAC1 (0.46) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL10132692 0.79 RAC1 (0.46) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL13334193 0.77 RAC1 (1.00) RAC1CDC42RAD52MAPTALDH1A1
Hydrochloric Acid SCHEMBL4257205 0.77 RAC1 (0.57) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL10132677 0.77 RAC1 (0.44) RAC1CDC42RAD52MAPTALDH1A1
SCHEMBL10132640 0.77 RAC1 (0.44) RAC1CDC42RAD52MAPTALDH1A1

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 — — US disclosed
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 RAC1 1000/4885CDC42 747/4885RAD52 768/4885

“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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