SCHEMBL9960678

SCHEMBL9960678

O=C(O)c1nc(C2=CC(O)c3ccccc32)oc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.37
PTPN1 P18031 2/20 0.37
IKBKB O14920 1/20 0.35
USP1 O94782 1/20 0.35
USP19 O94966 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
FABP4 P15090 2/20 0.34
FABP3 P05413 1/20 0.34
HCRTR2 O43614 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A3 Q92570 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 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
SCHEMBL9960771 0.78 PTPN1 (0.59) PTPN1HSD17B10ALDH1A1
SCHEMBL4487202 0.76 IKBKB (0.56) NR4A2PTPN1IKBKBUSP1USP19
SCHEMBL28806317 0.71 ALDH1A1 (0.37) PTPN1HSD17B10ALDH1A1HPGDMAPK1
SCHEMBL7701209 0.71 NPC1 (0.51) NR4A2PTPN1IKBKBUSP1USP19
SCHEMBL9960652 0.70 HNF4A (0.49) NR4A2FABP4FABP3NPC1RAB9A
SCHEMBL2457029 0.70 ALDH1A1 (0.43) NR4A2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3128951 0.69 IKBKB (0.54) IKBKBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7695337 0.69 IKBKB (0.55) NR4A2PTPN1IKBKBNPC1RAB9A
SCHEMBL9960479 0.68 RBP4 (0.40) SMN1; SMN2KDM4EALDH1A1HPGDPIN1
SCHEMBL9961029 0.68 MEN1 (0.36) NR4A2NPC1RAB9ASMN1; SMN2KDM4E

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-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP claimed
EP-2880006-B1 NON-SYMMETRIC CATALYSTS COMPRISING SALAN LIGANDS EXXONMOBIL CHEMICAL PATENTS INC (US) 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 NR4A2 47/4885PTPN1 3641/4885IKBKB 319/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NR4A2 47/4885PTPN1 3641/4885IKBKB 319/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NR4A2 47/4885PTPN1 3641/4885IKBKB 319/4885

“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.