SCHEMBL2946718

SCHEMBL2946718

C[C@H](O)[C@H](Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SLC6A4 P31645 2/20 0.48
ACACB O00763 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL28093662 0.86 IDO1 (0.42) SLC6A2SLC6A3ACACBIDO1RAB9A
SCHEMBL3940696 0.83 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL4158699 0.80 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2424315 0.80 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL4161150 0.80 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2326795 0.78 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2763601 0.78 SLC6A4 (0.56) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL192679 0.77 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL19342839 0.77 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL764989 0.75 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1LMNA

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 6 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

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 SLC6A2 1060/4885SLC6A3 1469/4885SLC6A4 1475/4885

“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.