SCHEMBL6040460

SCHEMBL6040460

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
SRPK1 Q96SB4 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CCKAR P32238 1/20 0.44
HTR5A P47898 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
KMO O15229 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL4727765 0.89 KDM4E (0.46) KDM4EMAPTSRPK1RPS6KB2HDAC2
SCHEMBL31222146 0.84 KAT6A (0.57) KAT6AKDM4EMAPTSRPK1RPS6KB2
SCHEMBL940399 0.84 KAT6A (0.57) KAT6AKDM4EMAPTSRPK1RPS6KB2
SCHEMBL27905638 0.81 KAT6A (0.58) KAT6AHTR1AADORA3CCKARHTR5A
Benzoic Acid SCHEMBL26966093 0.81 DAO (0.54) KAT6AKDM4EMAPTHTR1AADORA3
SCHEMBL6040493 0.80 ABL1 (0.40) KDM4EMAPTSRPK1RPS6KB2HDAC1
SCHEMBL6040843 0.79 TNFRSF1A (0.48) KDM4EMAPTSRPK1RPS6KB2CES2
SCHEMBL420705 0.79 KDM4E (0.55) KDM4EMAPTSRPK1RPS6KB2HDAC2
SCHEMBL6040654 0.77 TNFRSF1A (0.52) KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6040780 0.76 ERN1 (0.47) KDM4EMAPTABL1BCRMEN1

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 17 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-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO 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
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-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO 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 KAT6A 1499/4885KDM4E 2298/4885MAPT 973/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 KAT6A 338/4885KDM4E 3020/4885MAPT 1915/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 KAT6A 1657/4885KDM4E 2896/4885MAPT 1460/4885

“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.