SCHEMBL9959683

SCHEMBL9959683

COc1ccc2c(c1)c(C(=O)Cl)c(C)n2C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 3/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 9/20 0.57
KDM4E B2RXH2 5/20 0.57
MAPK1 P28482 1/20 0.56
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL3384928 0.87 KDM4E (0.71) MEN1KMT2ANPSR1POLBHTT
SCHEMBL9198378 0.87 HTT (0.76) MEN1KMT2ANPSR1POLBHTT
SCHEMBL5239507 0.85 ALDH1A1 (0.63) MEN1KMT2ANPSR1POLBHTT
SCHEMBL11563280 0.85 MAPT (0.51) MEN1KMT2ANPSR1POLBHTT
SCHEMBL9557007 0.82 SMN1; SMN2 (0.76) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL30875172 0.82 SMN1; SMN2 (0.76) NPSR1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL13554893 0.81 POLB (0.49) MEN1KMT2ANPSR1POLBHTT
SCHEMBL9959992 0.79 MAPT (0.49) MEN1KMT2ANPSR1POLBHTT
SCHEMBL5005734 0.79 ALDH1A1 (0.76) MEN1KMT2ANPSR1POLBHTT
SCHEMBL11559734 0.77 KDM4E (0.56) MEN1KMT2ANPSR1HTTALDH1A1

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
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES 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 (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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MEN1 4175/4885KMT2A 3459/4885NPSR1 596/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MEN1 4175/4885KMT2A 3459/4885NPSR1 596/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MEN1 4175/4885KMT2A 3459/4885NPSR1 596/4885

“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.