SCHEMBL4936102

SCHEMBL4936102

C=CCOC(=O)C(=O)/C=C/c1ccc(C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.52
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL4936104 1.00 SNCA (0.52) SNCAMAPTLMNANPC1MEN1
SCHEMBL14560098 0.83 GSK3B (0.56) MAPTLMNANPC1MEN1KMT2A
SCHEMBL11690704 0.83 SNCA (0.51) SNCAMAPTLMNANPC1MEN1
SCHEMBL4928347 0.80 MAPT (0.61) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4928343 0.80 MAPT (0.61) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL2705494 0.79 SNCA (0.58) SNCAMAPTNPC1MEN1KMT2A
SCHEMBL11690710 0.77 KMT2A (0.50) SNCAMAPTLMNAMEN1KMT2A
SCHEMBL11690702 0.77 KMT2A (0.50) SNCAMAPTLMNAMEN1KMT2A
SCHEMBL23866732 0.76 GSK3B (0.66) SNCAMAPTLMNANPC1MEN1
SCHEMBL8746176 0.75 LMNA (0.59) MAPTLMNANPC1MEN1KMT2A

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 6 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-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 SNCA 3978/4885MAPT 3317/4885LMNA 3785/4885
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR SNCA 3932/4885MAPT 2639/4885LMNA 3385/4885

“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.