SCHEMBL458928

SCHEMBL458928

C/C(=C\CC1=CC(O)c2ccccc21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.39
SLC2A9 Q9NRM0 1/20 0.39
AKR1C3 P42330 1/20 0.38
APEX1 P27695 7/20 0.36
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP3 P42574 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 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
SCHEMBL616045 1.00 SLC22A12 (0.39) SLC22A12SLC2A9AKR1C3APEX1POLB
SCHEMBL16395615 0.83 SLC22A12 (0.34) SLC22A12SLC2A9
SCHEMBL9960738 0.77 POLB (0.35) POLBAPAF1TDP2NSD2CYP1A2
SCHEMBL9960569 0.76 APEX1 (0.50) AKR1C3APEX1POLBCYP2C9
SCHEMBL2530115 0.74 AKR1B1 (0.41) POLBCYP1A2MAPT
SCHEMBL5138671 0.74 KDM4E (0.39) SLC22A12SLC2A9AKR1C3APEX1POLB
SCHEMBL28015994 0.72 ACHE (0.34) POLBCYP1A2CYP2C19
SCHEMBL5484988 0.72 POLB (0.42) AKR1C3APEX1POLBMAPTKMT2A
SCHEMBL2426303 0.72 KEAP1 (0.44) APEX1CYP1A2MAPT
SCHEMBL17060190 0.71 PAM (0.40) KDM4EMEN1MAPTKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676698-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2017-06-13 US claimed
CN-103443066-A Ingenol-3-acylates I LEO LABORATIRIES LTD 2013-12-11 CN 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
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 EP disclosed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP disclosed
US-10172306-B2 Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures PHYTON HOLDINGS, LLC (US) 2019-01-08 US disclosed
US-20180042194-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES PHYTON HOLDINGS, LLC (US) 2018-02-15 US disclosed
US-9676698-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2017-06-13 US disclosed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 US disclosed
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 US disclosed
CN-103443066-A Ingenol-3-acylates I LEO LABORATIRIES LTD 2013-12-11 CN 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
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US disclosed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP disclosed
CN-103119016-A Method for preparing ingenol-3-angelate LEO PHARMA AS 2013-05-22 CN disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 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 (5 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 SLC22A12 3968/4885SLC2A9 4285/4885AKR1C3 70/4885
US-10172306-B2 Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures LANCL2, ELOVL3, NFATC1 SLC22A12 1917/4885SLC2A9 1385/4885AKR1C3 1243/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 SLC22A12 4712/4885SLC2A9 4453/4885AKR1C3 188/4885
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 SLC22A12 4712/4885SLC2A9 4453/4885AKR1C3 188/4885
US-20180042194-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES ELOVL3, LANCL2, ICOS SLC22A12 1810/4885SLC2A9 1319/4885AKR1C3 996/4885

“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.