SCHEMBL1040657

SCHEMBL1040657

CC(=O)c1c2ccccc2c(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
PDE10A Q9Y233 1/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
PBRM1 Q86U86 1/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL181822 0.90 THRB (0.52) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL31146421 0.90 THRB (0.52) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL30881957 0.88 TP53 (0.46) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL1669173 0.86 TP53 (0.44) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL1666371 0.82 THRB (0.50) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL4570683 0.81 KDM4E (0.56) HSD17B10CA12CA9EGFRKDM4E
SCHEMBL16141026 0.79 CA12 (0.50) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL1039786 0.77 HTT (0.56) GAASRCKDM4EALDH1A1LMNA
SCHEMBL28190736 0.76 CA12 (0.51) HSD17B10TP53THRBSMN1; SMN2GAA
SCHEMBL377040 0.76 CYP1A2 (0.56) HSD17B10TP53SMN1; SMN2KDM4EALDH1A1

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 8 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-8329771-B2 Photobase generator SAN-APRO LIMITED (JP) 2012-12-11 US 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
US-20110028585-A1 PHOTOBASE GENERATOR SAN-APRO LIMITED (JP) 2011-02-03 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 HSD17B10 1945/4885TP53 3875/4885THRB 2649/4885

“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.