SCHEMBL5174591

SCHEMBL5174591

CC(C)OC(=O)CC(O)CBr

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2D6 P10635 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCA P17252 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL6153825 0.86 LMNA (0.45) LMNATSHRMMP1MMP2MMP3
SCHEMBL6155095 0.82 FAAH (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27901353 0.80 LMNA (0.41) LMNATSHRMMP1MMP2MMP3
SCHEMBL5814007 0.80 LMNA (0.45) LMNATSHRMMP1MMP2MMP3
SCHEMBL3681340 0.78 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL6237469 0.78 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL12219258 0.78 GABRR1 (0.48) LMNATSHRMMP1MMP2MMP3
SCHEMBL29983795 0.78 GABRR1 (0.48) LMNATSHRMMP1MMP2MMP3
SCHEMBL28617289 0.78 LMNA (0.39) LMNATSHRMMP1MMP2MMP3
SCHEMBL27525813 0.78 LMNA (0.39) LMNATSHRMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005375-A1 METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2005-01-20 WO claimed
EP-1213354-B1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL CO (JP) 2007-05-30 EP disclosed
US-6884607-B2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-26 US disclosed
US-20050019816-A1 Process for producing optically active-4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-27 US disclosed
US-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-0829472-B1 IMPROVED PROCESS FOR PRODUCING 4-HYDROXY-2-PYRROLIDONE DAISO CO LTD (JP) 2002-08-21 EP disclosed
EP-1213354-A2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-12 EP disclosed
US-5869694-A Process for preparing 4-hydroxy-2-pyrrolidone DAISO CO., LTD. (JP) 1999-02-09 US disclosed
EP-0829472-A1 IMPROVED PROCESS FOR PRODUCING 4-HYDROXY-2-PYRROLIDONE DAISO CO., LTD. (JP) 1998-03-18 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 (2 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-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate RNGTT, HMBS, POLB LMNA 2312/4885TSHR 3106/4885MMP1 3345/4885
US-20050019816-A1 Process for producing optically active-4-halo-3-hydroxybutanoate RNGTT, POLB, POLL LMNA 2401/4885TSHR 2889/4885MMP1 3234/4885

“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.