SCHEMBL6567073

SCHEMBL6567073

COC(=O)CC(=O)COC(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ KLK7 P49862 2/20 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
SCHEMBL16672470 0.88 ALDH1A1 (0.50) TSHRALDH1A1KMT2ACA12CA7
SCHEMBL6567525 0.86 MMP8 (0.46) TSHRALDH1A1KMT2AL3MBTL1
SCHEMBL16672851 0.79 FFAR1 (0.49) TSHRALDH1A1KMT2APOLBL3MBTL1
SCHEMBL19277737 0.78 HCAR2 (0.51) TSHRALDH1A1KMT2ACA12CA7
SCHEMBL16672751 0.77 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1HCAR2FFAR1
SCHEMBL16014986 0.76 CYP2D6 (0.49) TSHRALDH1A1L3MBTL1HCAR2FFAR1
SCHEMBL16672825 0.75 ATM (0.45) ALDH1A1L3MBTL1HCAR2FFAR1
SCHEMBL16672677 0.75 CYP2D6 (0.49) TSHRALDH1A1KMT2AMEN1
SCHEMBL23829513 0.75 NPC1 (0.46) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3834711 0.73 KMT2A (0.46) TSHRALDH1A1KMT2AKCNA5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 — — EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 — — EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 — — US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 — — US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 — — 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 TSHR 4191/4885ALDH1A1 77/4885KMT2A 3056/4885

“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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