SCHEMBL10010050

SCHEMBL10010050

CCCCCC(=O)c1ccc2c(c1)C(CCC(=O)OCC)(CCC(=O)OCC)c1cc(C(=O)CCCCC)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.43
▸ HRH2 P25021 3/20 0.41
▸ HRH1 P35367 3/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ STS P08842 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10298042 0.92 HSD17B3 (0.37) HSD17B3HRH2HRH1NR4A1PDK2
SCHEMBL10009406 0.88 HSD17B3 (0.39) HSD17B3HRH2HRH1NR4A1STS
SCHEMBL10008412 0.85 HSD17B3 (0.48) HSD17B3STS
SCHEMBL10298043 0.82 HSD17B3 (0.43) HSD17B3L3MBTL1
SCHEMBL28228075 0.79 HSD17B3 (0.47) HSD17B3PDK2ALDH1A1STSL3MBTL1
SCHEMBL28228004 0.79 HSD17B3 (0.47) HSD17B3PDK2ALDH1A1STSL3MBTL1
SCHEMBL10008935 0.79 HSD17B3 (0.44) HSD17B3STS
SCHEMBL18012830 0.77 HSD17B3 (0.50) HSD17B3ALDH1A1STS
SCHEMBL13814976 0.77 PDK2 (0.40) PDK2ALDH1A1
SCHEMBL17050249 0.74 APEX1 (0.51) PDK2ALDH1A1

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
US-8854730-B2 Negatively birefringent polyesters and optical films 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-07 — — US disclosed
US-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS 3M INNOVATIVE PROPERTIES COMPANY 2012-07-05 — — 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-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS PUF60, PARG, PARN HSD17B3 3615/4885HRH2 4866/4885HRH1 4756/4885

“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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