SCHEMBL3676651

SCHEMBL3676651

CCCCCCCCCCCCCCOC(=O)c1ccc(C=Cc2ccc(OCOC)c(OCOC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMPD1 P17405 3/20 0.46
STS P08842 5/20 0.45
ESR1 P03372 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3676645 1.00 NPC1 (0.50) NPC1MAPTRAB9AALDH1A1SMPD1
SCHEMBL4258449 0.93 MAPT (0.43) NPC1MAPTRAB9AALDH1A1SMPD1
SCHEMBL4258453 0.93 MAPT (0.43) NPC1MAPTRAB9AALDH1A1SMPD1
SCHEMBL4263110 0.88 SMPD1 (0.49) NPC1MAPTRAB9AALDH1A1SMPD1
SCHEMBL4263114 0.88 SMPD1 (0.49) NPC1MAPTRAB9AALDH1A1SMPD1
SCHEMBL4254433 0.86 ALDH1A1 (0.49) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL4259587 0.86 ALDH1A1 (0.49) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL4259580 0.86 ALDH1A1 (0.49) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL4254425 0.86 ALDH1A1 (0.49) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL4260954 0.84 MAPT (0.47) NPC1MAPTRAB9AALDH1A1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 NPC1 690/4885MAPT 2548/4885RAB9A 2681/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 NPC1 690/4885MAPT 2548/4885RAB9A 2681/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 NPC1 690/4885MAPT 2548/4885RAB9A 2681/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 NPC1 690/4885MAPT 2548/4885RAB9A 2681/4885

“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.