SCHEMBL2943555

SCHEMBL2943555

CC(=O)C(C)(Cl)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 3/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
MMP8 P22894 3/20 0.42
RECQL P46063 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.41
FDPS P14324 1/20 0.41
TSHR P16473 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
SCHEMBL4175635 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL12265997 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL11566540 0.83 ALDH1A1 (0.50) SMN1; SMN2HIF1AALDH1A1MMP8RECQL
SCHEMBL7391806 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL30788186 0.82 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL9671853 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL10887450 0.79 MMP8 (0.49) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL6552350 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
Ammonia Solution, Strong SCHEMBL11496832 0.78 SLC6A2 (0.45) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
Ammonia Solution, Strong SCHEMBL11617477 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG

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-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-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
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
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

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 SMN1; SMN2 3285/4885HIF1A 3979/4885SLC6A2 1060/4885

“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.