SCHEMBL1042811

SCHEMBL1042811

CC(=O)c1c2ccccc2c(CBr)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
THRB P10828 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 3/20 0.35
PTPN1 P18031 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 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
SCHEMBL31146421 0.82 THRB (0.52) THRBCA12CA9TP53HSD17B10
SCHEMBL181822 0.82 THRB (0.52) THRBCA12CA9TP53HSD17B10
SCHEMBL1042050 0.78 ALDH1A1 (0.48) SRCALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL975276 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL29791960 0.78 ALDH1A1 (0.45) PLK1HSD17B10ALDH1A1TSHRPTPN1
SCHEMBL1719724 0.78 ALDH1A1 (0.45) PLK1HSD17B10ALDH1A1TSHRPTPN1
SCHEMBL1666371 0.75 THRB (0.50) THRBCA12CA9TP53HSD17B10
SCHEMBL1040657 0.74 HSD17B10 (0.47) THRBCA12CA9TP53HSD17B10
SCHEMBL12527459 0.72 CYP3A4 (0.46) PLK1TP53HSD17B10ALDH1A1KDM4E
SCHEMBL8902531 0.71 MAPT (0.50) EGFRALDH1A1KDM4ELMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270114-B1 PHOTOBASE GENERATOR SAN APRO LTD (JP) 2014-07-09 EP disclosed
US-8329771-B2 Photobase generator SAN-APRO LIMITED (JP) 2012-12-11 US disclosed
US-20110028585-A1 PHOTOBASE GENERATOR SAN-APRO LIMITED (JP) 2011-02-03 US disclosed
EP-2270114-A1 PHOTOBASE GENERATOR San-Apro Limited (JP) 2011-01-05 EP 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-20110028585-A1 PHOTOBASE GENERATOR CCKBR, XDH, PPOX PLK1 2561/4885THRB 2649/4885CA12 1659/4885

“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.