SCHEMBL9960767

SCHEMBL9960767

O=C(O)c1scc(C2=CC(O)c3ccccc32)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HNF4A P41235 1/20 0.32
GPR35 Q9HC97 1/20 0.32
BCAT2 O15382 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9960803 0.83 GPR35 (0.34) SMN1; SMN2GPR35ALDH1A1
SCHEMBL9960652 0.78 HNF4A (0.49) NPC1RAB9AHNF4ABCAT2ALDH1A1
SCHEMBL7933440 0.76 BCAT2 (0.44) GRIA4NPC1RAB9ASMN1; SMN2HNF4A
SCHEMBL28806317 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2457029 0.72 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2HNF4AALDH1A1
SCHEMBL16144919 0.69 GRIA4 (0.39) GRIA4ALDH1A1
SCHEMBL9960730 0.68 TP53 (0.37) GRIA4SMN1; SMN2HNF4AALDH1A1
SCHEMBL9960847 0.67 ALDH1A1 (0.44) GPR35ALDH1A1
SCHEMBL6457257 0.67 HNF4A (0.47) NPC1RAB9ASMN1; SMN2HNF4AGPR35
SCHEMBL9960570 0.67 G6PD (0.44) NPC1RAB9ASMN1; SMN2HNF4ABCAT2

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 GRIA4 1285/4885NPC1 1253/4885RAB9A 908/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GRIA4 1285/4885NPC1 1253/4885RAB9A 908/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GRIA4 1285/4885NPC1 1253/4885RAB9A 908/4885

“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.