SCHEMBL4633763

SCHEMBL4633763

CC(C)OC(=O)[C@H](O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.54
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.40
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
CXCL8 P10145 1/20 0.38
ADRB3 P13945 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL4633761 1.00 CASP1 (0.54) CASP1ADRB2ADRB1TSHRSMN1; SMN2
SCHEMBL30290820 1.00 CASP1 (0.54) CASP1ADRB2ADRB1TSHRSMN1; SMN2
SCHEMBL29572016 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL22939 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL29572218 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL3685278 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL31506886 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL253615 0.82 CASP1 (0.56) CASP1ADRB2ADRB1NPC1ALDH1A1
SCHEMBL4632797 0.79 CASP1 (0.70) CASP1ADRB2ADRB1TSHRNPC1
SCHEMBL4632799 0.79 CASP1 (0.70) CASP1ADRB2ADRB1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1930441-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE -HYDROXYCARBOXYLIC ACID Daiichi Fine Chemical Co., Ltd. (JP) 2008-06-11 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-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid PCCA, HCAR1, HCAR2 CASP1 333/4885ADRB2 4593/4885ADRB1 4142/4885

“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.