SCHEMBL21055987

SCHEMBL21055987

O=C(CCl)c1ccc(Cl)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.55
ALDH1A1 P00352 5/20 0.47
HIF1A Q16665 3/20 0.47
MAPK1 P28482 2/20 0.47
TRPA1 O75762 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMO O15229 3/20 0.42
TP53 P04637 1/20 0.42
MGLL Q99685 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
SCHEMBL9533712 0.84 TSHR (0.45) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL8768769 0.84 GSK3B (0.55) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL16010437 0.83 CA12 (0.56) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL29836035 0.83 GSK3B (0.59) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL5005689 0.83 GSK3B (0.59) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL43409 0.83 CA12 (0.56) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL29389757 0.83 CA12 (0.56) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL9618646 0.82 TSHR (0.43) ALDH1A1TSHRCYP3A4HSD17B10TDP1
Ethylene SCHEMBL27986952 0.80 GSK3B (0.55) GSK3BALDH1A1KDM4ETSHRKMO
SCHEMBL11637468 0.79 USP5 (0.50) ALDH1A1HIF1ATSHRHSD17B10

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 GSK3B 3080/4885ALDH1A1 178/4885HIF1A 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.