SCHEMBL9956291

SCHEMBL9956291

COc1cc(C)c(C(=O)Cl)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 3/20 0.50
ABCG2 Q9UNQ0 3/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL939482 0.88 CYP3A4 (0.56) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL9713491 0.88 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL311761 0.83 KMT2A (0.57) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL16018016 0.83 CYP3A4 (0.68) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL2027170 0.81 CYP3A4 (0.69) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL347917 0.81 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL3019239 0.80 CYP3A4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL347495 0.79 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL11540305 0.79 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL18511828 0.79 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2HPGD

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-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
CN-103402969-A 3-acyl-ingenol II LEO PHARMA AS 2013-11-20 CN 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 CYP3A4 1531/4885USP2 2455/4885MAPK1 3116/4885

“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.