SCHEMBL4632799

SCHEMBL4632799

CCOC(=O)[C@H](O)c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.70
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
MMP8 P22894 1/20 0.42
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL4632797 1.00 CASP1 (0.70) CASP1PIN1ALDH1A1TSHRMEN1
SCHEMBL16797728 0.85 CASP1 (0.54) CASP1PIN1ALDH1A1KMT2ANLRP3
SCHEMBL5861445 0.84 CASP1 (0.59) CASP1PIN1ALDH1A1TSHRMEN1
SCHEMBL5315505 0.84 CASP1 (0.56) CASP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5315507 0.84 CASP1 (0.56) CASP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL17093307 0.83 CASP1 (0.58) CASP1PIN1ALDH1A1TSHRMEN1
SCHEMBL15917187 0.83 CASP1 (1.00) CASP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL30425504 0.83 CASP1 (1.00) CASP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5322140 0.83 CASP1 (0.57) CASP1PIN1ALDH1A1TSHRMEN1
SCHEMBL10708969 0.83 CASP1 (0.57) CASP1PIN1ALDH1A1TSHRMEN1

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 3 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
WO-2007078176-A1 THE METHOD OF MAKING OPTICALLY ACTIVE 2-CHLOROMANDELIC ACID ESTERS AND 2-CHLOROMANDELIC ACIDS BY ENZYMATIC METHOD ENZYTECH, LTD. (KR) 2007-07-12 WO 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 333/4885PIN1 2706/4885ALDH1A1 1451/4885

“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.