SCHEMBL17028385

SCHEMBL17028385

CCCCC(C)(C)C(=O)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
LMNA P02545 2/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL17038067 0.96 ELANE (0.50) ELANELMNAMAOBKDM4EMEN1
SCHEMBL17028391 0.95 ELANE (0.49) ELANELMNAMAOBKDM4EMEN1
SCHEMBL7202273 0.86 ELANE (0.58) ELANEL3MBTL1
SCHEMBL11305274 0.84 ELANE (0.56) ELANEL3MBTL1
SCHEMBL17028379 0.83 ELANE (0.62) ELANELMNACYP1A2CYP2C19
SCHEMBL22812898 0.80 ALDH1A1 (0.52) ELANELMNAKMT2ASLC6A2SLC6A3
SCHEMBL10459367 0.80 PPARA (0.57) LMNAMAOBKDM4EMEN1MAPT
SCHEMBL17038061 0.80 ELANE (0.55) ELANELMNACYP1A2CYP2C19
SCHEMBL10457425 0.78 PPARA (0.74) LMNAMAOBKDM4EMEN1KMT2A
SCHEMBL17028370 0.77 ELANE (0.59) ELANELMNAKDM4EMAPTCYP1A2

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 5 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
CN-106456649-A Compounds for improving cognition and social behavior in humans having neurological disorders 莱兰斯坦福初级大学评议会 2017-02-22 CN 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 ELANE 2499/4885LMNA 1438/4885MAOB 208/4885

“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.