SCHEMBL6568404

SCHEMBL6568404

COC(=O)CC(=O)COCc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
AGXT P21549 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
PARP10 Q53GL7 1/20 0.40
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 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
SCHEMBL29105138 0.88 RAB9A (0.53) RAB9ANPC1AGXTCYP1A2CYP2C19
SCHEMBL6567531 0.87 GAA (0.48) RAB9ANPC1CYP1A2CYP2C19MAPT
SCHEMBL7231280 0.87 ALDH1A1 (0.45) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL132700 0.85 HTT (0.51) RAB9ANPC1AGXTMAPTALDH1A1
SCHEMBL126148 0.85 NPC1 (0.55) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL18601228 0.82 NPC1 (0.52) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL13241990 0.80 CYP4F2 (0.46) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL30984445 0.79 RAB9A (0.47) RAB9ANPC1AGXTCYP1A2CYP2C19
SCHEMBL30984465 0.79 RAB9A (0.47) RAB9ANPC1AGXTCYP1A2CYP2C19
SCHEMBL6795893 0.79 TDP1 (0.50) RAB9ANPC1MAPTALDH1A1L3MBTL1

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 RAB9A 4454/4885NPC1 4560/4885AGXT 910/4885

“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.