SCHEMBL4255443

SCHEMBL4255443

COc1cc(NC(=O)C=Cc2ccc(C(=O)O)cc2)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.70
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.66
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
PTGS2 P35354 1/20 0.59
LTB4R Q15722 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57

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
SCHEMBL4255442 1.00 BCHE (0.70) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL11729572 0.90 MEN1 (0.81) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4262363 0.90 BCHE (0.70) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4262360 0.90 BCHE (0.70) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL11729578 0.90 MEN1 (0.81) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL25345177 0.84 BCHE (0.81) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL29589362 0.84 BCHE (0.81) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL13675645 0.84 TRPV1 (0.78) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL20537978 0.83 HTT (0.82) BCHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL20537980 0.83 HTT (0.82) BCHEALDH1A1HPGDSMN1; SMN2MEN1

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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 BCHE 3261/4885ALDH1A1 828/4885HPGD 615/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 BCHE 1450/4885ALDH1A1 586/4885HPGD 1038/4885

“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.