SCHEMBL3680778

SCHEMBL3680778

COC(=O)C[C@@H](O)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.50
ABCB1 P08183 1/20 0.49
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SLC1A1 P43005 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
TSHR P16473 1/20 0.45
CASR P41180 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL3680781 1.00 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL7423196 1.00 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL7233591 0.85 CA1 (0.54) CA1CA2CA7CA9NPC1
SCHEMBL5828117 0.85 CA1 (0.54) CA1CA2CA7CA9NPC1
SCHEMBL7242401 0.85 CA1 (0.54) CA1CA2CA7CA9NPC1
SCHEMBL9518846 0.85 NPC1 (0.49) CA1CA2CA7CA9NPC1
SCHEMBL9518843 0.85 NPC1 (0.49) CA1CA2CA7CA9NPC1
SCHEMBL20233630 0.84 KMT2A (0.47) CA1CA2CA7CA9NPC1
SCHEMBL22031115 0.84 CA1 (0.60) CA1CA2CA7CA9NPC1
SCHEMBL20530493 0.84 CA1 (0.60) CA1CA2CA7CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616852-B1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO LTD (JP) 2010-08-11 EP disclosed
US-7256305-B2 Process for producing β-hydroxyester DAISO CO., LTD. (JP) 2007-08-14 US disclosed
US-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine DAISO CO., LTD. (JP) 2006-06-08 US disclosed
EP-1616852-A1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO., LTD. (JP) 2006-01-18 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-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine CYP2E1, CBR1, ADH1A CA1 421/4885CA2 606/4885CA7 442/4885

“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.