SCHEMBL101284

SCHEMBL101284

CC(CCOCC(O)COCCC(C)CC(C)(C)C)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
CASR P41180 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4240739 0.91 USP2 (0.44) HSD17B10TDP1USP2
SCHEMBL16809992 0.85 HSD17B10 (0.33) HSD17B10
SCHEMBL29690346 0.85 HSD17B10 (0.33) HSD17B10
SCHEMBL8343333 0.85 HSD17B10 (0.36) HSD17B10TDP1
SCHEMBL29690178 0.83 HSD17B10 (0.32) HSD17B10
SCHEMBL3278006 0.83 EGFR (0.30)
SCHEMBL13286565 0.81
SCHEMBL13286557 0.81
SCHEMBL5469118 0.81
SCHEMBL8343309 0.80 HSD17B10 (0.31) HSD17B10TDP1

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-2426099-A1 Coalescent for aqueous compositions Rohm and Haas Company (US) 2012-03-07 EP disclosed
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS VAN DYK ANTONY KEITH (US) 2012-03-01 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-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS DGAT2, DGAT1, DAGLB HSD17B10 143/4885TDP1 2844/4885USP2 968/4885

“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.