SCHEMBL6040865

SCHEMBL6040865

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2cnccn2)c(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
KLK3 P07288 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
CHEK1 O14757 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KMT2A Q03164 1/20 0.36
NEK2 P51955 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL6040652 0.81 AR (0.43) KLK3RXRACHEK1MKNK1MKNK2
SCHEMBL6040686 0.78 ECE1 (0.44) SMN1; SMN2RXRAKMT2ACA12CA1
SCHEMBL6040925 0.77 RAB9A (0.48) SMN1; SMN2RXRASUV39H2PDE4BPDE4D
SCHEMBL6040676 0.77 ROCK2 (0.48)
SCHEMBL6040707 0.77 MAP4K4 (0.39) CCNT1CDK9SMN1; SMN2RXRAPDGFRB
SCHEMBL6040615 0.76 TNFRSF1A (0.40) RXRAPDE4BPDE4DCA12CA1
SCHEMBL6040874 0.75 ABCG2 (0.55) SMN1; SMN2ALDH1A1
SCHEMBL6040868 0.75 ABCG2 (0.55) SMN1; SMN2ALDH1A1
SCHEMBL6040835 0.75 HPSE (0.38) CCNT1CDK9SMN1; SMN2PDE4BPDE4D
SCHEMBL6040877 0.75 GPR35 (0.44) RXRACA12CA1CA2CA4

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 16 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
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 KDM4C 2618/4885KLK3 1484/4885CCNT1 3303/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 KDM4C 2442/4885KLK3 1682/4885CCNT1 1275/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 KDM4C 3115/4885KLK3 1462/4885CCNT1 2249/4885

“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.