SCHEMBL9960547

SCHEMBL9960547

CC(C)c1c(C(=O)O)cccc1C1=CC(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MYC P01106 1/20 0.38
HNF4A P41235 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33

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 0.82 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960813 0.82 MYC (0.44) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960555 0.81 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960652 0.79 HNF4A (0.49) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960570 0.79 G6PD (0.44) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960810 0.79 NR4A1 (0.41) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960605 0.78 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960041 0.78 MAPT (0.44) ALDH1A1MAPTL3MBTL1LMNAMYC
SCHEMBL9960493 0.75 MAPT (0.45) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL31018830 0.75 HNF4A (0.58) ALDH1A1MAPTL3MBTL1LMNAMYC

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 5 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

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 ALDH1A1 2403/4885MAPT 4721/4885L3MBTL1 2539/4885

“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.