SCHEMBL6567525

SCHEMBL6567525

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NLRP3 Q96P20 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPID Q08752 1/20 0.40
▸ MGAM O43451 1/20 0.40

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
SCHEMBL16672677 0.88 CYP2D6 (0.49) MMP8CYP2D6CYP3A4CYP2C19NLRP3
SCHEMBL6567073 0.86 TSHR (0.44) ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL27843171 0.80 MMP8 (0.49) MMP8CYP2D6CYP3A4CYP2C19NLRP3
SCHEMBL27512600 0.79 CYP3A4 (0.50) MMP8CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL9316342 0.78 ALDH1A1 (0.50) MMP8CYP2D6CYP3A4CYP2C19MDM4
SCHEMBL16672470 0.78 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL28524512 0.76 FFAR1 (0.50) CYP2D6NLRP3SLC6A2SLC6A4SLC6A3
SCHEMBL16672851 0.76 FFAR1 (0.49) CYP2D6ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL7903373 0.76 GAA (0.54) NLRP3LMNAALDH1A1L3MBTL1MGAM
SCHEMBL5751142 0.75 MMP8 (0.50) MMP8CYP2D6CYP3A4CYP2C19NLRP3

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 MMP8 4663/4885CYP2D6 281/4885CYP3A4 53/4885

“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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