SCHEMBL3630199

SCHEMBL3630199

COc1cccc(OCC(O)CCl)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
TSHR P16473 1/20 0.73
KDM4E B2RXH2 2/20 0.68
HIF1A Q16665 1/20 0.59
TP53 P04637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.53
CASR P41180 1/20 0.53
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52

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
SCHEMBL7086556 0.91 HIF1A (0.64) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL13572916 0.85 TSHR (0.76) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL1496641 0.83 ADRB2 (0.64) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL6256165 0.83 MAPK1 (0.73) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL11276663 0.83 TSHR (0.73) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL1496545 0.83 TSHR (0.73) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL3630009 0.82 AR (0.59) MAPK1TSHRKDM4EL3MBTL1MAPT
SCHEMBL29847698 0.81 TSHR (0.70) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL1496491 0.81 TSHR (0.70) MAPK1TSHRKDM4EHIF1ATP53
SCHEMBL22640124 0.81 KDM4E (1.00) MAPK1TSHRKDM4EHIF1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728179-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-01 US disclosed
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1982972-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 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 (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-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 MAPK1 1367/4885TSHR 1213/4885KDM4E 720/4885

“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.