SCHEMBL17028374

SCHEMBL17028374

CCCC[C@@H](CC(C)(C)C(=O)O)c1ccccc1OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
VDR P11473 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 5/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARA Q07869 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35

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
SCHEMBL5569347 0.75 ALDH1A1 (0.50) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL25469293 0.74 ALDH1A1 (0.61) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL4648032 0.72 ALDH1A1 (0.51) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL5954032 0.71 ALDH1A1 (0.61) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL9682439 0.71 ALDH1A1 (0.57) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL8488783 0.71 ALDH1A1 (0.54) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL8489678 0.69 ALDH1A1 (0.58) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL15689381 0.69 ALDH1A1 (0.61) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL3144818 0.69 ALDH1A1 (0.54) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL1791806 0.69 ALDH1A1 (0.60) ALDH1A1GLAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
EP-3122350-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR The Board of Trustees of The Leland Stanford Junior University (US) 2017-02-01 EP disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 US disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 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-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR ADRA1B, ADRB1, ADRA1A ALDH1A1 561/4885GLA 846/4885MEN1 2918/4885

“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.