SCHEMBL6040443

SCHEMBL6040443

CCOC(=O)C1(C(=O)OCC)Oc2ccc(C(C)=O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL7151297 0.83 KDM4E (0.44) KDM4EALDH1A1TSHRRAB9ANPC1
SCHEMBL7150283 0.80 ALPG (0.41) ALPGKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL7233580 0.79 CYP4F2 (0.45) ALPGKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6040793 0.79 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL7152356 0.78 ALPG (0.41) ALPGKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8859132 0.78 ALPG (0.41) ALPGKDM4EALDH1A1RAB9ANPC1
SCHEMBL7152359 0.77 ALPG (0.41) ALPGKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8581306 0.77 KDM4E (0.35) KDM4ECREBBPALDH1A1SMN1; SMN2POLB
SCHEMBL1168124 0.76 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL31085256 0.75 KDM4E (0.45) KDM4ECREBBPALDH1A1SMN1; SMN2POLB

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 19 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-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP 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 (2 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 ALPG 2258/4885KDM4E 2298/4885CREBBP 542/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ALPG 2609/4885KDM4E 2896/4885CREBBP 808/4885

“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.