SCHEMBL434759

SCHEMBL434759

C1CC[C]([C]2CCCCO2)OC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4722064 0.74 CHRNB4 (0.38) CA1CA9ALDH1A1TSHR
SCHEMBL12796573 0.71 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL5112846 0.67
SCHEMBL2175853 0.67
SCHEMBL74598 0.67
SCHEMBL6470885 0.67
SCHEMBL3079337 0.67
SCHEMBL189733 0.67 CA1 (1.00) CA1CA9ALDH1A1LMNATP53
SCHEMBL21496514 0.67
SCHEMBL19650557 0.67 CA1 (1.00) CA1CA9ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 US claimed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US claimed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US claimed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US claimed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP claimed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 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-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
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US disclosed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US 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
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 (3 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-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA1 2649/4885CA9 1614/4885ALDH1A1 1005/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA1 2649/4885CA9 1614/4885ALDH1A1 1005/4885
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA1 2649/4885CA9 1614/4885ALDH1A1 1005/4885

“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.