SCHEMBL9961005

SCHEMBL9961005

Cc1c(C(=O)O)c2c(C3=CC(O)c4ccccc43)cccc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 2/20 0.34
EGFR P00533 1/20 0.34
PABPC1 P11940 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 2/20 0.31
GFER P55789 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9960991 0.83 L3MBTL1 (0.34) MAP3K5KMT2AMEN1L3MBTL1POLB
SCHEMBL9961040 0.82 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL9961055 0.80 ATM (0.34) KMT2AMEN1L3MBTL1POLBEGFR
SCHEMBL16144919 0.79 GRIA4 (0.39) MAP3K5KMT2AMEN1L3MBTL1POLB
SCHEMBL9961059 0.79 ATM (0.34) KMT2AEGFRATMIDO1
SCHEMBL16144893 0.76 MAPK13 (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL16144891 0.76 EGFR (0.47) L3MBTL1POLBEGFRALDH1A1KDM4E
SCHEMBL9960918 0.75 NR4A2 (0.35) MAP3K5KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9961012 0.74 GRIA4 (0.33) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL9960649 0.72 MYC (0.33) KMT2AMEN1L3MBTL1POLBALDH1A1

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 16 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 claimed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
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-20150133543-A1 TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2015-05-14 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 MAP3K5 2921/4885KMT2A 3459/4885MEN1 4175/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAP3K5 2921/4885KMT2A 3459/4885MEN1 4175/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAP3K5 2921/4885KMT2A 3459/4885MEN1 4175/4885

“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.