SCHEMBL9960652

SCHEMBL9960652

O=C(O)c1cccc(C2=CC(O)c3ccccc32)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.49
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MYC P01106 1/20 0.41
GFER P55789 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP4 P15090 6/20 0.39
FABP3 P05413 3/20 0.39
FABP5 Q01469 3/20 0.39
KDM4E B2RXH2 1/20 0.38
PIM1 P11309 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 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
SCHEMBL2457029 0.86 ALDH1A1 (0.43) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960570 0.82 G6PD (0.44) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960813 0.82 MYC (0.44) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960810 0.82 NR4A1 (0.41) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960041 0.79 MAPT (0.44) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960605 0.79 ALDH1A1 (0.38) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960547 0.79 ALDH1A1 (0.41) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4923081 0.78 LTB4R2 (0.46) HNF4AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9960767 0.78 GRIA4 (0.32) HNF4AALDH1A1NPC1RAB9ABCAT2
SCHEMBL9960493 0.78 MAPT (0.45) HNF4AALDH1A1MAPTL3MBTL1LMNA

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-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US claimed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US disclosed
US-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US disclosed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO 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-20130331446-A1 3-ACYL-INGENOLS II IL33, CXCL8, MMP8 HNF4A 2054/4885ALDH1A1 2403/4885MAPT 4721/4885

“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.