SCHEMBL6286943

SCHEMBL6286943

COC(=O)C(O)C1CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5607337 0.83 CYP2D6 (0.65) CYP2D6ALDH1A1KDM4ECA1CA2
SCHEMBL5096916 0.83 CYP2D6 (0.65) CYP2D6ALDH1A1KDM4ECA1CA2
SCHEMBL5607333 0.83 CYP2D6 (0.65) CYP2D6ALDH1A1KDM4ECA1CA2
SCHEMBL11265157 0.83 CYP2D6 (0.49) CYP2D6THRBALDH1A1KDM4EHSD17B10
SCHEMBL9518399 0.83 CYP2D6 (0.49) CYP2D6THRBALDH1A1KDM4EHSD17B10
SCHEMBL11639674 0.81 CYP2D6 (0.48) CYP2D6THRBALDH1A1KDM4EHSD17B10
SCHEMBL10780118 0.79 CYP2D6 (0.59) CYP2D6THRBALDH1A1KDM4EHSD17B10
SCHEMBL15407007 0.79 THRB (0.56) CYP2D6THRBALDH1A1KDM4EHSD17B10
SCHEMBL6287504 0.78 CYP2D6 (0.43) CYP2D6ALDH1A1KDM4ECA1CA2
SCHEMBL2728837 0.77 THRB (0.46) CYP2D6THRBALDH1A1KDM4EHSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858743-B2 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO, KG (AT) 2005-02-22 US claimed
EP-1286981-B1 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM FINE CHEM AUSTRIA GMBH (AT) 2004-08-04 EP claimed
US-20030171601-A1 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-09-11 US claimed
CN-1434815-A Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2003-08-06 CN claimed
CN-1202102-C Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2005-05-18 CN disclosed
US-6858743-B2 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO, KG (AT) 2005-02-22 US disclosed
US-6858743-B2 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO, KG (AT) 2005-02-22 US disclosed
EP-1286981-B1 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM FINE CHEM AUSTRIA GMBH (AT) 2004-08-04 EP disclosed
US-20030171601-A1 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-09-11 US disclosed
US-20030171601-A1 Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-09-11 US disclosed
CN-1434815-A Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2003-08-06 CN disclosed
CN-1434815-A Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2003-08-06 CN disclosed
EP-1286981-A1 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-03-05 EP disclosed
WO-2001094329-A8 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM FINE CHEM AUSTRIA GMBH (AT) 2003-02-13 WO disclosed
WO-2001094329-A1 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2001-12-13 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 (1 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-20030171601-A1 Method for the production of 2-coumarone and substituted 2-coumarones HAO2, HACL2, HAAO CYP2D6 29/4885THRB 3943/4885ALDH1A1 276/4885

“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.