SCHEMBL6040650

SCHEMBL6040650

COc1cc(OCc2nc3ccccc3[nH]2)c(C=O)cc1-c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
TP53 P04637 4/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 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
SCHEMBL6040766 0.80 TNFRSF1A (0.47) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL6040761 0.80 TNFRSF1A (0.47) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL6040675 0.80 ERN1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL6040679 0.79 TNFRSF1A (0.52) SMN1; SMN2ALDH1A1
SCHEMBL5560733 0.77 TNFRSF1A (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6040822 0.76 MAPT (0.42) NPC1RAB9AALDH1A1TSHRMAPK1
SCHEMBL1049736 0.75 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL856031 0.75 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6040757 0.74 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5559926 0.73 ERN1 (0.49) ALDH1A1TSHRMAPT

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 NPC1 40/4885RAB9A 1137/4885SMN1; SMN2 2931/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 NPC1 1311/4885RAB9A 3448/4885SMN1; SMN2 4274/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 NPC1 22/4885RAB9A 998/4885SMN1; SMN2 2245/4885

“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.