SCHEMBL3542900

SCHEMBL3542900

C=CCc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.57
MAPT P10636 3/20 0.53
ALOX5 P09917 3/20 0.50
HIF1A Q16665 1/20 0.50
GABRA1 P14867 4/20 0.49
GABRB2 P47870 4/20 0.49
CNR2 P34972 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
ELANE P08246 1/20 0.48
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL20455949 0.88 MAPT (0.53) PTPN1MAPTKMT2AMEN1CYP3A4
SCHEMBL4982250 0.88 PTPN1 (0.60) PTPN1MAPTALOX5GABRA1GABRB2
SCHEMBL3544993 0.87 KDM4E (0.51) PTPN1MAPTL3MBTL1ELANE
SCHEMBL1608087 0.87 ALOX5 (0.56) PTPN1MAPTALOX5GABRA1GABRB2
SCHEMBL4979174 0.87 HSD17B2 (0.57) PTPN1MAPTALOX5GABRA1GABRB2
SCHEMBL31614534 0.86 MAPT (0.54) PTPN1MAPTHIF1AKMT2AMEN1
SCHEMBL4981784 0.86 ALDH1A1 (0.61) PTPN1ALOX5KMT2AMEN1L3MBTL1
SCHEMBL10457980 0.84 PTAFR (0.54) PTPN1MAPTALOX5GABRA1GABRB2
SCHEMBL9733519 0.84 PTPN1 (0.56) PTPN1MAPTALOX5GABRA1GABRB2
SCHEMBL502441 0.83 ALDH1A1 (0.48) PTPN1MAPTHIF1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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 (2 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP PTPN1 4335/4885MAPT 37/4885ALOX5 2421/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE PTPN1 2663/4885MAPT 3703/4885ALOX5 3812/4885

“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.