SCHEMBL10132653

SCHEMBL10132653

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
CXCR5 P32302 4/20 0.35
PLAUR Q03405 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10163156 0.81 CA12 (0.43) KMT2AALDH1A1TDP1KDM4EHPGD
SCHEMBL15813854 0.77 XDH (0.40) KMT2AALDH1A1XDH
SCHEMBL10132652 0.75 ERN1 (0.40) KMT2AALDH1A1TDP1CXCR5CHRNA1
SCHEMBL23739275 0.74 ALDH1A1 (0.53) KMT2AALDH1A1TDP1CXCR5KDM4E
SCHEMBL5693090 0.72 NOTUM (0.38) ALDH1A1TDP1ALKBH5HPGD
SCHEMBL31522038 0.72 MAPT (0.46) KMT2AALDH1A1TDP1KDM4EHSD17B10
SCHEMBL3008374 0.71 MEN1 (0.42) KMT2AALDH1A1PLAUR
SCHEMBL20788572 0.71 ALDH1A1 (0.50) KMT2AALDH1A1TDP1CXCR5KDM4E
SCHEMBL29581599 0.71 SCN4A (0.37) KMT2AALDH1A1TDP1CXCR5SLC6A4
SCHEMBL27387343 0.71 SCN4A (0.37) KMT2AALDH1A1TDP1CXCR5SLC6A4

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 KMT2A 2916/4885ALDH1A1 3095/4885TDP1 1005/4885

“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.