SCHEMBL9960790

SCHEMBL9960790

C/C(C1=CC(O)c2ccccc21)=C(\C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HBB P68871 1/20 0.33
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CYP19A1 P11511 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL9960737 0.83 POLB (0.38) POLBMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL4927480 0.73 EDNRA (0.35) POLBMAPTKMT2AALDH1A1ALOX15
SCHEMBL9960653 0.72 LMNA (0.42) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL14590999 0.71 CES1 (0.50) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL29113953 0.71 CES1 (0.50) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9959346 0.71 BCAT2 (0.37) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL27945139 0.68 ALDH1A1 (0.39) POLBKMT2AALDH1A1KDM4EEDNRB
SCHEMBL27782676 0.65 CES2 (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL2555176 0.65 CES1 (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9960738 0.65 POLB (0.35) POLBMAPTKMT2AALDH1A1L3MBTL1

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-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US claimed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 POLB 3046/4885MAPT 4684/4885MEN1 3426/4885

“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.