SCHEMBL4934501

SCHEMBL4934501

CCO/C=C/CCOCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.31

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
SCHEMBL4930417 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL4930425 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL2968123 0.79 MEN1 (0.52) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL7755113 0.78
SCHEMBL19225073 0.77 TSHR (0.57) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL150766 0.77 TSHR (0.52) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL2961236 0.76 TSHR (0.50) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL2474882 0.75 MEN1 (0.48) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL14793004 0.75 TSHR (0.62) ALDH1A1MEN1KMT2ATHRBHTT
Tetraethylene Glycol SCHEMBL11460312 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-20040059138-A1 Dihydropyrancarboxamides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-03-25 US 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-20040059138-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR ALDH1A1 71/4885MEN1 2407/4885KMT2A 905/4885
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR ALDH1A1 140/4885MEN1 1653/4885KMT2A 482/4885

“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.