SCHEMBL6040428

SCHEMBL6040428

COc1cc(OCc2c(C)noc2C)c(C=O)cc1-c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 2/20 0.46
TNFRSF1A P19438 1/20 0.44
AKR1C3 P42330 5/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 3/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ERN1 O75460 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
SCHEMBL6040643 0.84 HTT (0.55) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL6040638 0.84 HTT (0.55) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL6040679 0.79 TNFRSF1A (0.52) ALDH1A1TNFRSF1AKDM4ESMN1; SMN2ERN1
SCHEMBL5560733 0.78 TNFRSF1A (0.57) ALDH1A1KMT2AHPGDMEN1TNFRSF1A
SCHEMBL6040636 0.77 HTT (0.54) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL6040675 0.75 ERN1 (0.41) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL5559926 0.75 ERN1 (0.49) ALDH1A1TNFRSF1AKDM4EMAPTRXFP1
SCHEMBL6040725 0.74 ERN1 (0.50) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL6040751 0.74 ERN1 (0.46) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL6040821 0.74 ERN1 (0.46) ALDH1A1KMT2AHPGDMEN1HTT

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 8 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 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 ALDH1A1 1770/4885KMT2A 4522/4885HPGD 340/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ALDH1A1 828/4885KMT2A 3142/4885HPGD 416/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ALDH1A1 792/4885KMT2A 4624/4885HPGD 430/4885

“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.