SCHEMBL10132652

SCHEMBL10132652

Cc1ccc(Br)c(C=O)c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.40
ALDH1A3 P47895 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL10163104 0.80 ERN1 (0.57) ERN1ALDH1A3CYP1A2MAPTCYP2C9
SCHEMBL19867383 0.78 ERN1 (0.42) ERN1MAPTKDM4EALDH1A1HPGD
SCHEMBL12440950 0.76 ALDH1A3 (0.38) ERN1ALDH1A3CYP1A2MAPTCYP2C9
SCHEMBL10132653 0.75 KMT2A (0.40) KDM4EALDH1A1HPGDHSD17B10CHRNA1
SCHEMBL29581599 0.72 SCN4A (0.37) ALDH1A3CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL27387343 0.72 SCN4A (0.37) ALDH1A3CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL11993044 0.71 ERN1 (0.44) ERN1CYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL7015729 0.70 ALDH1A3 (0.52) ERN1ALDH1A3KDM4EALDH1A1HPGD
SCHEMBL19464105 0.69 ALDH1A1 (0.45) ERN1MAPTCYP2C9KDM4EALDH1A1
SCHEMBL30004272 0.69 ERN1 (0.47) ERN1MAPTALDH1A1HPGDAKR1B1

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 ERN1 2314/4885ALDH1A3 4406/4885CYP1A2 127/4885

“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.