SCHEMBL4727765

SCHEMBL4727765

C=C(C(=O)c1ccc(C(=O)O)cc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
EGLN1 Q9GZT9 1/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
LTA4H P09960 1/20 0.44
SRPK1 Q96SB4 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HPGDS O60760 1/20 0.41
HDAC2 Q92769 1/20 0.41
SRC P12931 1/20 0.41
TNFRSF1A P19438 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6040460 0.89 KAT6A (0.47) KDM4EMAPTABL1BCRSRPK1
SCHEMBL420705 0.87 KDM4E (0.55) KDM4EMAPTEGLN1ABL1BCR
SCHEMBL6040799 0.82 CA2 (0.50) ABL1BCRLTA4H
SCHEMBL6040493 0.82 ABL1 (0.40) KDM4EMAPTEGLN1ABL1BCR
SCHEMBL27889063 0.80 CES2 (0.56) ABL1BCRLTA4HCES2CES1
SCHEMBL6040735 0.80 ABL1 (0.37) ABL1BCRLTA4HHPGDSHDAC2
SCHEMBL6091965 0.79 TNFRSF1A (0.52) KDM4ETNFRSF1AALDH1A1
SCHEMBL6040654 0.79 TNFRSF1A (0.52) KDM4ETNFRSF1AALDH1A1
Benzoic Acid SCHEMBL26966093 0.79 DAO (0.54) KDM4EMAPTEGLN1CES2CES1
SCHEMBL6040843 0.78 TNFRSF1A (0.48) KDM4EMAPTSRPK1RPS6KB2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US claimed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US claimed
JP-2005516941-A 2005-06-09 JP claimed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP claimed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP claimed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US claimed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 KDM4E 2298/4885MAPT 973/4885EGLN1 627/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 KDM4E 2896/4885MAPT 1460/4885EGLN1 627/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KDM4E 3242/4885MAPT 9/4885EGLN1 1500/4885

“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.