SCHEMBL21960082

SCHEMBL21960082

CC(=O)c1ccc(O)c(C/C=C\CCCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ PKM P14618 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ TOP1 P11387 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ BACE1 P56817 1/20 0.45
▸ HSD17B1 P14061 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PPARG P37231 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ F7 P08709 2/20 0.42
▸ F3 P13726 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ OXER1 Q8TDS5 1/20 0.42

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
SCHEMBL21958790 0.81 HTT (0.46) HTTPKMPOLBTOP1BACE1
SCHEMBL16306922 0.80 HTT (0.67) HTTPKMPOLBBACE1HSD17B1
SCHEMBL16295827 0.80 HTT (0.67) HTTPKMPOLBBACE1HSD17B1
SCHEMBL16295828 0.80 HTT (0.67) HTTPKMPOLBBACE1HSD17B1
3-Prenyl-4-Hydroxyacetophenone SCHEMBL4120403 0.73 HTT (1.00) HTTPKMPOLBBACE1HSD17B1
SCHEMBL1092424 0.73 HTT (0.71) HTTPKMPOLBBACE1HSD17B1
SCHEMBL11125937 0.73 PKM (0.68) HTTPKMPOLBHSD17B10HSD17B1
SCHEMBL10306496 0.72 BACE1 (0.56) HTTPKMPOLBBACE1ALDH1A1
SCHEMBL8454522 0.72 BACE1 (0.56) HTTPKMPOLBBACE1ALDH1A1
SCHEMBL24075566 0.71 HTT (0.76) HTTPKMPOLBBACE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT NATIONAL SCIENCE FOUNDATION 2020-04-23 — — US 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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT DUOX2, DUOX1, RNF168 HTT 4420/4885PKM 3354/4885POLB 392/4885

“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.

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