SCHEMBL220454

SCHEMBL220454

C=C(C)COCC(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
PARP1 P09874 1/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR3 P49682 1/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ESR1 P03372 1/20 0.40

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 0.80 ERCC5 (0.53) ERCC5FEN1PARP1MAOAMAOB
SCHEMBL3869644 0.79 ERCC5 (0.56) ERCC5FEN1PARP1HPGDALDH1A1
SCHEMBL1711979 0.79 ERCC5 (0.49) ERCC5FEN1PARP1HPGDALDH1A1
SCHEMBL220453 0.76 ERCC5 (0.49) ERCC5FEN1PARP1MAOAMAOB
SCHEMBL4888739 0.76 GRM5 (0.54) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL2536519 0.74 ERCC5 (0.50) ERCC5FEN1PARP1HPGDALDH1A1
SCHEMBL940846 0.74 ERCC5 (0.67) ERCC5FEN1PARP1HPGDMEN1
SCHEMBL20247744 0.74 MAOA (0.46) ERCC5FEN1PARP1MAOAMAOB
SCHEMBL22079991 0.74 HPGD (0.53) ERCC5FEN1PARP1HPGDALDH1A1
SCHEMBL116338 0.73 ERCC5 (0.61) ERCC5FEN1PARP1HPGDALDH1A1

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 2812/4885PARP1 2571/4885

“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.