SCHEMBL9960813

SCHEMBL9960813

Cc1c(C(=O)O)cccc1C1=CC(O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.44
PTGER1 P34995 1/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
TSHR P16473 1/20 0.39
HNF4A P41235 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 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) MYCALDH1A1L3MBTL1POLBHPGD
SCHEMBL9960570 0.82 G6PD (0.44) MYCALDH1A1L3MBTL1POLBHPGD
SCHEMBL9960810 0.82 NR4A1 (0.41) MYCALDH1A1L3MBTL1LMNAMAPT
SCHEMBL9960652 0.82 HNF4A (0.49) MYCALDH1A1L3MBTL1LMNAMAPT
SCHEMBL9960547 0.82 ALDH1A1 (0.41) MYCALDH1A1L3MBTL1POLBLMNA
SCHEMBL9960605 0.82 ALDH1A1 (0.38) MYCALDH1A1L3MBTL1HPGDLMNA
SCHEMBL9960041 0.82 MAPT (0.44) MYCALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL9960649 0.80 MYC (0.33) MYCALDH1A1L3MBTL1POLBHPGD
SCHEMBL9960870 0.79 CCNC (0.33)
SCHEMBL9960555 0.79 ALDH1A1 (0.38) MYCALDH1A1L3MBTL1HPGDLMNA

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 MYC 2138/4885PTGER1 265/4885ALDH1A1 2403/4885

“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.