SCHEMBL10163174

SCHEMBL10163174

COc1cc(-c2c(OC)c(OC)cc3c2ccc2c4ccc(OC)c(OC)c4c(=O)n(C)c32)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
CYP19A1 P11511 3/20 0.43
NQO2 P16083 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL10163171 0.91 CYP19A1 (0.41) CYP19A1NQO2L3MBTL1ACHEPOLB
SCHEMBL10163291 0.89 ALDH1A1 (0.40) CYP19A1NQO2L3MBTL1ACHEPOLB
SCHEMBL10163184 0.89 CYP19A1 (0.40) PDE3BPDE3ACYP19A1NQO2L3MBTL1
SCHEMBL10163000 0.87 GAA (0.40) CYP19A1NQO2L3MBTL1ACHEKDM4E
SCHEMBL10163181 0.87 TUBB4A (0.39) PDE3BPDE3ACYP19A1NQO2ACHE
SCHEMBL10161825 0.85 NPC1 (0.43) CYP19A1NQO2CYP1A1CYP1A2CYP1B1
SCHEMBL10161780 0.83 CYP19A1 (0.37) CYP19A1NQO2L3MBTL1POLBKDM4E
SCHEMBL10132697 0.82 CYP19A1 (0.41) CYP19A1NQO2L3MBTL1ALDH1A1KDR
SCHEMBL10161775 0.81 CYP19A1 (0.43) CYP19A1NQO2L3MBTL1ACHEPOLB
SCHEMBL10132646 0.80 CYP19A1 (0.40) CYP19A1NQO2L3MBTL1POLBALDH1A1

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 3 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
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO 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 PDE3B 2429/4885PDE3A 3139/4885CYP19A1 596/4885

“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.