SCHEMBL6040704

SCHEMBL6040704

COc1cc(OC)c(-c2cc3ccccc3n2C)cc1C=CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.52
TNFRSF1A P19438 7/20 0.50
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.46
DPP4 P27487 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CXCL12 P48061 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 2/20 0.43
CAPN1 P07384 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL6040701 1.00 ABCG2 (0.52) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5561058 0.88 ABCG2 (0.47) ABCG2TNFRSF1AMAPTSMN1; SMN2LMNA
SCHEMBL5561063 0.88 ABCG2 (0.47) ABCG2TNFRSF1AMAPTSMN1; SMN2LMNA
SCHEMBL5566296 0.86 MAPT (0.49) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5565822 0.86 ABCG2 (0.46) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5565583 0.86 MAPT (0.49) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5565585 0.86 MAPT (0.49) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5566293 0.86 MAPT (0.49) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5565821 0.86 ABCG2 (0.46) ABCG2TNFRSF1ANPC1MAPTRAB9A
SCHEMBL5565785 0.85 MAPT (0.49) ABCG2TNFRSF1ANPC1MAPTRAB9A

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 ABCG2 8/4885TNFRSF1A 3846/4885NPC1 40/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ABCG2 178/4885TNFRSF1A 3023/4885NPC1 1311/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ABCG2 35/4885TNFRSF1A 3877/4885NPC1 22/4885

“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.