SCHEMBL6040609

SCHEMBL6040609

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2c(C)noc2C)c(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HDAC1 Q13547 3/20 0.43
P2RY14 Q15391 1/20 0.42
BRD4 O60885 9/20 0.41
BRD2 P25440 8/20 0.41
BRD3 Q15059 6/20 0.41
NR3C1 P04150 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CREBBP Q92793 1/20 0.39
FTO Q9C0B1 1/20 0.39

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
SCHEMBL6040615 0.78 TNFRSF1A (0.40) HTT
SCHEMBL6040618 0.77 ABCG2 (0.55) HTT
SCHEMBL6040622 0.77 ABCG2 (0.55) HTT
SCHEMBL6040636 0.77 HTT (0.54) HTTPOLBGAA
SCHEMBL6040652 0.76 AR (0.43) HTTAR
SCHEMBL6040925 0.75 RAB9A (0.48) HTTPOLBL3MBTL1GAA
SCHEMBL6040676 0.75 ROCK2 (0.48)
SCHEMBL6040877 0.75 GPR35 (0.44)
SCHEMBL6040686 0.74 ECE1 (0.44) HTTBRD4POLB
SCHEMBL6040865 0.74 KDM4C (0.41) GAA

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 11 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-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-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 (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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 HTT 124/4885HDAC1 668/4885P2RY14 3069/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 HTT 236/4885HDAC1 484/4885P2RY14 3474/4885

“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.