SCHEMBL6040686

SCHEMBL6040686

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2nccs2)c(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 0.41
▸ TUBA3C P0DPH7 3/20 0.41
▸ TUBA1B P68363 3/20 0.41
▸ TUBA4A P68366 3/20 0.41
▸ TUBB4B P68371 3/20 0.41
▸ TUBB3 Q13509 3/20 0.41
▸ TUBB2A Q13885 3/20 0.41
▸ TUBB8 Q3ZCM7 3/20 0.41
▸ TUBA3E Q6PEY2 3/20 0.41
▸ TUBA1A Q71U36 3/20 0.41
▸ TUBA1C Q9BQE3 3/20 0.41
▸ TUBB6 Q9BUF5 3/20 0.41
▸ TUBB2B Q9BVA1 3/20 0.41
▸ TUBB1 Q9H4B7 3/20 0.41
▸ MAPT P10636 3/20 0.39

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
SCHEMBL4727715 0.80 TNFRSF1A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6040865 0.78 KDM4C (0.41) SMN1; SMN2RXRAALDH1A1KMT2ACA12
SCHEMBL6040615 0.78 TNFRSF1A (0.40) RAB9AMAPK1RXRAALDH1A1HTT
SCHEMBL6040925 0.77 RAB9A (0.48) ECE1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6040652 0.76 AR (0.43) RAB9AMAPK1RXRAALDH1A1HTT
SCHEMBL6040699 0.75 ABCG2 (0.55) TDP1
SCHEMBL6040692 0.75 ABCG2 (0.55) TDP1
SCHEMBL6040496 0.75 TSHR (0.44) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6040796 0.75 TNFRSF1A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6040676 0.75 ROCK2 (0.48) —

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 16 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
JP-2005516941-A — — 2005-06-09 — — JP claimed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 — — EP claimed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 — — EP 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
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 — — WO 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 ECE1 24/4885RAB9A 1137/4885SMN1; SMN2 2931/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ECE1 860/4885RAB9A 3448/4885SMN1; SMN2 4274/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ECE1 17/4885RAB9A 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.

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