SCHEMBL10161774

SCHEMBL10161774

COc1cc2c(ccc3c4ccc(OC)c(OC)c4c(=O)n(C)c23)c(C2=CCCCC2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
NQO2 P16083 3/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB5 P28074 1/20 0.36
ACHE P22303 2/20 0.36
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDR P35968 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10132674 0.92 CYP19A1 (0.37) CYP19A1NQO2ALDH1A1MAPTHPGD
SCHEMBL10163174 0.83 PDE3B (0.45) CYP19A1NQO2ALDH1A1HPGDKDM4E
SCHEMBL10163171 0.79 CYP19A1 (0.41) CYP19A1NQO2ALDH1A1MAPTCYP3A4
SCHEMBL10163291 0.77 ALDH1A1 (0.40) CYP19A1NQO2ALDH1A1MAPTCYP3A4
SCHEMBL10163184 0.77 CYP19A1 (0.40) CYP19A1NQO2ALDH1A1MAPTHPGD
SCHEMBL10161775 0.76 CYP19A1 (0.43) CYP19A1NQO2ALDH1A1MAPTHPGD
SCHEMBL10163285 0.76 CYP19A1 (0.41) CYP19A1NQO2ALDH1A1MAPTHPGD
SCHEMBL10163181 0.76 TUBB4A (0.39) CYP19A1NQO2ALDH1A1ACHEPDE3B
SCHEMBL10163000 0.76 GAA (0.40) CYP19A1NQO2ALDH1A1MAPTHPGD
SCHEMBL10161825 0.74 NPC1 (0.43) CYP19A1NQO2CYP3A4KDRMAPK1

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 CYP19A1 596/4885NQO2 50/4885ALDH1A1 3095/4885

“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.