SCHEMBL9960737

SCHEMBL9960737

CC(C)=C(C(=O)O)C1=CC(O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.30
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
THRB P10828 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
SCHEMBL9960790 0.83 POLB (0.38) POLBEDNRBEDNRAKMT2AALDH1A1
SCHEMBL4927480 0.77 EDNRA (0.35) POLBEDNRBEDNRAKMT2AHDAC3
SCHEMBL9959346 0.74 BCAT2 (0.37) POLBEDNRBEDNRAKMT2AHDAC3
SCHEMBL9960653 0.73 LMNA (0.42) POLBEDNRBEDNRAKMT2ACYP1A2
SCHEMBL27945139 0.71 ALDH1A1 (0.39) POLBEDNRBEDNRAKMT2AHDAC3
SCHEMBL9960569 0.70 APEX1 (0.50) POLBEDNRBEDNRAAKR1C3
SCHEMBL9960738 0.68 POLB (0.35) POLBEDNRBEDNRAKMT2ACYP1A2
SCHEMBL616045 0.68 SLC22A12 (0.39) POLBKMT2ACYP1A2MAPTAPAF1
SCHEMBL458928 0.68 SLC22A12 (0.39) POLBKMT2ACYP1A2MAPTAPAF1
SCHEMBL27926816 0.66 POLB (0.39) POLBKMT2AHDAC3HDAC4HDAC7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US claimed
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 3046/4885EDNRB 1084/4885EDNRA 879/4885

“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.