SCHEMBL21055979

SCHEMBL21055979

O=C(CCl)c1cc(O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.46
GSK3B P49841 4/20 0.46
ERCC5 P28715 2/20 0.43
FEN1 P39748 2/20 0.43
P2RX7 Q99572 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 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
SCHEMBL16432142 0.84 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AHSD17B10GSK3B
SCHEMBL10990106 0.82 HSP90AB1 (0.61) ALDH1A1HSD17B10ERCC5FEN1P2RX7
SCHEMBL9526213 0.82 ALDH1A1 (0.71) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL488780 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL4624113 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1HIF1AHSD17B10GSK3B
SCHEMBL30269774 0.78 HSP90AB1 (0.66) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL4828627 0.78 HSP90AB1 (0.66) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL201278 0.77 ALDH1A1 (0.65) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL30442360 0.77 ALDH1A1 (0.65) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL17142429 0.77 HSD17B10 (0.52) ALDH1A1HSD17B10P2RX7CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532455-B1 IMPROVED SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE SIEGFRIED AG (CH) 2021-09-22 EP disclosed
EP-3532455-B1 IMPROVED SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE SIEGFRIED AG (CH) 2021-09-22 EP disclosed
US-20210107853-A1 SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE SIEGFRIED AG (CH) 2021-04-15 US disclosed
US-20210107853-A1 SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE SIEGFRIED AG (CH) 2021-04-15 US disclosed
EP-3498687-A1 IMPROVED SYNTHESIS OF MONOCHLORINATED ACETOPHENONE Siegfried AG (CH) 2019-06-19 EP disclosed
EP-3498687-A1 IMPROVED SYNTHESIS OF MONOCHLORINATED ACETOPHENONE Siegfried AG (CH) 2019-06-19 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-20210107853-A1 SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE ACACA, CYP51A1, ACACB ALDH1A1 178/4885MAPK1 3030/4885HIF1A 1129/4885

“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.