SCHEMBL2939724

SCHEMBL2939724

CC(=O)O[C@H](C)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1532473 1.00 MMP12 (0.54) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6682726 0.90 NAAA (0.50) MMP12TSHRSMN1; SMN2KMT2AHPGD
SCHEMBL1836937 0.87 TSHR (0.53) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL29001222 0.87 TSHR (0.53) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL14690199 0.85 MMP12 (0.50) MMP12TSHRHTTHPGDALDH1A1
SCHEMBL10392265 0.84 KMT2A (0.51) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL14685931 0.84 PRKCG (0.47) MMP12TSHRKMT2AMEN1HTT
SCHEMBL7279889 0.84 MMP12 (0.68) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL15949718 0.83 TSHR (0.46) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5617244 0.83 ALDH1A1 (0.52) TSHRALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750135-B2 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-07-06 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
WO-2008013949-A2 MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS MICHIGAN STATE UNIVERSITY (US) 2008-01-31 WO disclosed
US-7229817-B2 Recombinant porcine liver esterases, their use and a method for the production thereof DEGUSSA AG (DE) 2007-06-12 US disclosed
EP-0872467-B1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEM CO (US) 2003-01-22 EP disclosed
US-5886214-A CATALYTIC ASYMMETRIC HYDROGENATION OF ENOL ESTERS BEARING A VINYLLIC OR AN ACETYLENIC SUBSTITUENT BY USING A CHIRAL RHODIUM(I) HYDROGENATION CATALYST PREPARED FROM A SUITABLE RHODIUM SALT AND AN OPTICALLY PURE PHOSPHINE LIGAND EASTMAN CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0872467-A1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEMICAL COMPANY (US) 1998-10-21 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-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols ADH5, ADH1C, ADH1A MMP12 3107/4885TSHR 1699/4885SMN1; SMN2 3285/4885

“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.