SCHEMBL9960041

SCHEMBL9960041

CNc1c(C(=O)O)cccc1C1=CC(O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP14 P50281 1/20 0.44
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MYC P01106 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
HNF4A P41235 1/20 0.36
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL9960493 0.85 MAPT (0.45) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2457029 0.82 ALDH1A1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9960508 0.82 KDM4E (0.45) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL9960813 0.82 MYC (0.44) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9960652 0.79 HNF4A (0.49) MAPTKDM4EALDH1A1LMNAMYC
SCHEMBL9960570 0.79 G6PD (0.44) MAPTMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9960810 0.79 NR4A1 (0.41) MAPTALDH1A1LMNAMYCL3MBTL1
SCHEMBL9960547 0.78 ALDH1A1 (0.41) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL9960605 0.78 ALDH1A1 (0.38) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL9960555 0.75 ALDH1A1 (0.38) MAPTMAPK1KDM4EALDH1A1LMNA

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 MAPT 4721/4885MAPK1 3116/4885SMN1; SMN2 4369/4885

“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.