SCHEMBL6040602

SCHEMBL6040602

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2c[nH]c(C3CC3)n2)c(OC)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
PDE4D Q08499 4/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
ROCK2 O75116 5/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
CSNK2A1 P68400 1/20 0.32
AR P10275 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CFB P00751 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
TPMT P51580 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
SCHEMBL6040655 0.88 CA1 (0.37) ROCK2CA12CA1CA2CA7
SCHEMBL6040608 0.78 ABCG2 (0.49) ALDH1A1
SCHEMBL6040925 0.75 RAB9A (0.48) RXRAPDE4DSUV39H2PDE4BCSNK2A1
SCHEMBL6040676 0.74 ROCK2 (0.48) ROCK2
SCHEMBL6040865 0.74 KDM4C (0.41) RXRAPDE4DSUV39H2PDE4BCCNT1
SCHEMBL6040877 0.72 GPR35 (0.44) RXRAALDH1A1CA12CA1CA2
SCHEMBL6040652 0.72 AR (0.43) RXRAARALDH1A1CA12CA1
SCHEMBL6040609 0.72 HTT (0.45) AR
SCHEMBL6040615 0.71 TNFRSF1A (0.40) RXRAPDE4DPDE4BCSNK2A1ALDH1A1
SCHEMBL6040824 0.71 KDM4E (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1

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 12 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
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO claimed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US claimed
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 RXRA 3207/4885PDE4D 2355/4885SUV39H2 3379/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 RXRA 3870/4885PDE4D 4278/4885SUV39H2 2256/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 RXRA 3455/4885PDE4D 2763/4885SUV39H2 3977/4885

“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.