SCHEMBL220453

SCHEMBL220453

CC=C(C)OCC(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11753942 0.86 ERCC5 (0.53) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL3869644 0.79 ERCC5 (0.56) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL14617642 0.78 ERCC5 (0.48) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL22079991 0.77 HPGD (0.53) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL6499526 0.76 ERCC5 (0.53) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL220454 0.76 ERCC5 (0.49) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL2536519 0.74 ERCC5 (0.50) ERCC5FEN1ESR1ESR2PARP1
SCHEMBL940846 0.74 ERCC5 (0.67) ERCC5FEN1PARP1MAPTHPGD
SCHEMBL116338 0.73 ERCC5 (0.61) ERCC5FEN1PARP1ALDH1A1MAPT
SCHEMBL1711979 0.73 ERCC5 (0.49) ERCC5FEN1ESR1ESR2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA ERCC5 4113/4885FEN1 2812/4885ESR1 3707/4885

“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.