SCHEMBL6040830

SCHEMBL6040830

COc1cc(OC)c(C2C=CCO2)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.38
PRKDC P78527 2/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERN1 O75460 5/20 0.33
TUBB1 Q9H4B7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6040568 0.72 ABCG2 (0.49) KDM4ELMNAGAASMN1; SMN2MAPT
SCHEMBL10849623 0.70 ALDH1A1 (0.86) ALDH1A1KDM4ETSHRTDP1LMNA
Asaraldehyde SCHEMBL29456596 0.68 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1LMNA
Asaraldehyde SCHEMBL333451 0.68 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL3136850 0.68 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL24765632 0.67 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL16056155 0.67 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1LMNA
Asaraldehyde SCHEMBL27489564 0.66 ALDH1A1 (0.95) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL6402103 0.64 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL1534470 0.63 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1LMNA

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 1770/4885KDM4E 2298/4885TSHR 3448/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ALDH1A1 828/4885KDM4E 3020/4885TSHR 3877/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ALDH1A1 792/4885KDM4E 2896/4885TSHR 3314/4885

“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.