SCHEMBL9960602

SCHEMBL9960602

O=C(O)c1c(C2=CC(O)c3ccccc32)cnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NR4A3 Q92570 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
RIPK2 O43353 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL9960854 0.79 IDO1 (0.41) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL16144892 0.72 KDM4E (0.32) ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2457029 0.71 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9961012 0.71 GRIA4 (0.33) ALDH1A1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9960704 0.71 HTT (0.33) LMNAPOLB
SCHEMBL9960592 0.71 RECQL (0.34) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL4888498 0.70 NPC1 (0.49) HIF1AKEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL16144896 0.69 MAPT (0.31) MAPT
SCHEMBL9960681 0.69 POLB (0.30) L3MBTL1POLBMAPT
SCHEMBL9961001 0.68 ALDH1A1 (0.44) ALDH1A1TP53SMN1; SMN2RAB9AMAPT

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 9 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
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 HIF1A 1005/4885KEAP1 2285/4885NFE2L2 501/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HIF1A 1005/4885KEAP1 2285/4885NFE2L2 501/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HIF1A 1005/4885KEAP1 2285/4885NFE2L2 501/4885

“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.