SCHEMBL10132678

SCHEMBL10132678

COc1cc2c(ccc3c4ccc(C)c(OC)c4c(=O)n(C)c23)c(C2CCCCC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
NQO2 P16083 5/20 0.41
TLR4 O00206 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CREBBP Q92793 1/20 0.32
CTSV O60911 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
SCHEMBL10132690 0.95 CYP19A1 (0.43) CYP19A1NQO2TLR4ATMALDH1A1
SCHEMBL10163285 0.91 CYP19A1 (0.41) CYP19A1NQO2TLR4ALDH1A1HTT
SCHEMBL10161775 0.85 CYP19A1 (0.43) CYP19A1NQO2ATMALDH1A1KDM4E
SCHEMBL10132879 0.78 TDP1 (0.48) CYP19A1NQO2ATMKDM4EMAPT
SCHEMBL10132697 0.77 CYP19A1 (0.41) CYP19A1NQO2ATMALDH1A1SMN1; SMN2
SCHEMBL10132674 0.77 CYP19A1 (0.37) CYP19A1NQO2ALDH1A1KDM4EKMT2A
SCHEMBL10132646 0.76 CYP19A1 (0.40) CYP19A1NQO2ATMALDH1A1SMN1; SMN2
SCHEMBL10132804 0.74 CYP19A1 (0.39) CYP19A1NQO2ATMALDH1A1
SCHEMBL10132743 0.74 RET (0.45) CYP19A1NQO2ATMSMN1; SMN2KMT2A
SCHEMBL10132849 0.73 KCNA3 (0.42) CYP19A1NQO2ALDH1A1HTTKDM4E

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 50/4885TLR4 504/4885

“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.