SCHEMBL22493863

SCHEMBL22493863

C=C(C)COOC(=O)OOCC(=C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR174 Q9BXC1 1/20 0.30

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
SCHEMBL28494618 0.84 ALDH1A1 (0.48) HSD17B10ALDH1A1
SCHEMBL9847940 0.83 TSHR (0.39)
SCHEMBL10790003 0.74 ALDH1A1 (0.33) HSD17B10TDP1ALDH1A1GPR174
SCHEMBL1976400 0.72 ALDH1A1 (0.43) HSD17B10TDP1ALDH1A1GPR174
SCHEMBL11620790 0.71 TP53 (0.37) ALDH1A1
SCHEMBL15224102 0.71 CYP1A2 (0.41) HSD17B10TDP1ALDH1A1
SCHEMBL21545991 0.69 LMNA (0.55) HSD17B10TDP1ALDH1A1GPR174
SCHEMBL15433908 0.69
SCHEMBL8136888 0.69 GPR174 (0.31) GPR174
Bicarbonate SCHEMBL9752520 0.67 ALDH1A1 (0.31) HSD17B10TDP1ALDH1A1GPR174

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4501303-A2 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE Solventum Intellectual Properties Company (US) 2025-02-05 EP disclosed
US-20200315924-A1 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-10-08 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-20200315924-A1 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE MSR1, H1-2, H1-3 HSD17B10 3475/4885TDP1 3169/4885ALDH1A1 2155/4885

“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.