SCHEMBL6567425

SCHEMBL6567425

CCCCOC(=O)CC(=O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
PLA2G4B P0C869 3/20 0.51
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 1/20 0.43
RAB9A P51151 1/20 0.43
CETP P11597 3/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL128759 0.92 NPC1 (0.46) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL16672914 0.88 ALDH1A1 (0.60) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL53331 0.85 PPID (0.49) L3MBTL1TSHRALDH1A1MAPK1NPC1
SCHEMBL23471179 0.84 TSHR (0.55) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL13259771 0.84 ALDH1A1 (0.66) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL11525397 0.84 ALDH1A1 (0.58) L3MBTL1TSHRTDP1ALDH1A1MAPK1
SCHEMBL23471317 0.83 TSHR (0.54) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL2042795 0.83 PPID (0.47) L3MBTL1ALDH1A1MAPK1NPC1RAB9A
SCHEMBL8979745 0.81 NPC1 (0.47) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL16673251 0.81 TDP1 (0.58) L3MBTL1TSHRTDP1ALDH1A1CYP3A4

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 6 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
US-4421922-A Process for the production of tetronic acid LONZA LTD. (CH) 1983-12-20 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 L3MBTL1 3136/4885TSHR 4191/4885TDP1 3673/4885

“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.