SCHEMBL4185628

SCHEMBL4185628

C=CC1CC(=O)N1c1ccc(OC)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
AOX1 Q06278 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.38
MDM4 O15151 1/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL14141091 0.77 L3MBTL1 (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL14675329 0.74 TUBB4A (0.50) ALDH1A1MAPTNPC1HTTTUBB1
SCHEMBL11115287 0.67 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL20695860 0.67 TUBB4A (0.53) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL19423102 0.67 TUBB4A (0.53) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6620393 0.66 ESR1 (0.38) ALDH1A1AOX1MAPTMEN1KMT2A
SCHEMBL1600196 0.64 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL20695864 0.64 HIF1A (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14675390 0.64 ESR1 (0.58) SMN1; SMN2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL19422932 0.64 HIF1A (0.49) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 ALDH1A1 664/4885AOX1 319/4885MAPT 4405/4885

“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.