SCHEMBL3676680

SCHEMBL3676680

CCCCC(Oc1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
RECQL P46063 1/20 0.58
PPARG P37231 5/20 0.51
PTGES O14684 2/20 0.51
ALOX5 P09917 2/20 0.51
ALDH1A1 P00352 6/20 0.47
PPARA Q07869 3/20 0.47
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL2517738 0.96 KDM4E (0.57) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL547407 0.94 KDM4E (0.56) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL3674655 0.94 KDM4E (0.56) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL19717843 0.94 KDM4E (0.56) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL2571460 0.91 PPARG (0.56) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL5695165 0.87 KDM4E (0.55) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL27938060 0.87 KDM4E (0.58) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL5695124 0.87 KDM4E (0.55) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL5695160 0.87 PPARG (0.48) KDM4EKMT2AMEN1RECQLPPARG
SCHEMBL5695098 0.86 TSHR (0.52) KDM4EKMT2AMEN1RECQLPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429606-B1 USE OF SALICYLIC ACID ESTERS AND ASSOCIATIONS THEREOF WITH ELICITINS IN THE PROTECTION OF PLANTS AGRONOMIQUE INST NAT RECH (FR) 2010-04-28 EP claimed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-6984741-B2 5-Nitrobenzofurans BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050288519-A1 5-Nitrobenzofurans MAGERLEIN WOLFGANG 2005-12-29 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
CN-1485323-A 5-nitrobenzofurans 2004-03-31 CN disclosed
US-20040034220-A1 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2004-02-19 US disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 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-20050288519-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 KDM4E 917/4885KMT2A 2669/4885MEN1 3582/4885
US-20040034220-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 KDM4E 917/4885KMT2A 2669/4885MEN1 3582/4885

“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.