SCHEMBL10132646

SCHEMBL10132646

COc1cc2c(ccc3c4ccc(C)c(OC)c4c(=O)n(C)c23)c(-c2ccc(-c3ccccc3)cc2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
NQO2 P16083 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 3/20 0.38
ATM Q13315 1/20 0.38
KDR P35968 1/20 0.37
RET P07949 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
ADORA1 P30542 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10132697 0.98 CYP19A1 (0.41) CYP19A1NQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL10163291 0.92 ALDH1A1 (0.40) CYP19A1NQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL10132660 0.90 CYP19A1 (0.37) CYP19A1NQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL10163171 0.89 CYP19A1 (0.41) CYP19A1NQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL10132849 0.86 KCNA3 (0.42) CYP19A1NQO2ALDH1A1CYP3A4KDR
SCHEMBL10132818 0.84 GAA (0.37) CYP19A1NQO2ALDH1A1L3MBTL1TACR1
SCHEMBL10132743 0.84 RET (0.45) CYP19A1NQO2L3MBTL1TACR1ATM
SCHEMBL10132804 0.84 CYP19A1 (0.39) CYP19A1NQO2ALDH1A1ATMKDR
SCHEMBL10161780 0.84 CYP19A1 (0.37) CYP19A1NQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL422412 0.82 CYP19A1 (0.47) CYP19A1NQO2CYP3A4MEN1KMT2A

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 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.