SCHEMBL6040682

SCHEMBL6040682

O=Cc1cc(-c2cccs2)ccc1OCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 2/20 0.46
ERN1 O75460 1/20 0.45
USP2 O75604 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
PRKDC P78527 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6094179 0.84 HRH3 (0.56) KCNH2HRH3KDM4EERN1HRH1
SCHEMBL6040513 0.83 TSHR (0.48) KDM4EUSP2CYP2C19CYP2D6CYP1A2
SCHEMBL6040552 0.82 TNFRSF1A (0.55)
SCHEMBL6040558 0.82 TNFRSF1A (0.55)
SCHEMBL5561391 0.78 SYK (0.44) KDM4EERN1CYP2D6LMNAKMT2A
SCHEMBL6742262 0.77 KDM4E (0.47) KDM4EUSP2LMNARAB9AKMT2A
SCHEMBL11507359 0.76 KDM4E (0.66) KCNH2HRH3KDM4EUSP2CYP2C19
SCHEMBL6040551 0.76 USP2 (0.43) KCNH2HRH3KDM4EUSP2HRH2
SCHEMBL11367106 0.75 ALDH1A1 (0.56) KCNH2HRH3KDM4EUSP2CYP2D6
SCHEMBL23226899 0.74 EPHX2 (0.53) HRH3KDM4EHRH2HRH1

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 KCNH2 1380/4885HRH3 1960/4885KDM4E 2298/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 KCNH2 2243/4885HRH3 2221/4885KDM4E 3020/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 KCNH2 1551/4885HRH3 2103/4885KDM4E 2896/4885

“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.