SCHEMBL9960496

SCHEMBL9960496

CN(C(=O)OC1=CC(O)c2ccccc21)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
LIPE Q05469 4/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ACHE P22303 1/20 0.36

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
SCHEMBL9960807 0.90 LMNA (0.47) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960717 0.90 RAB9A (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960651 0.87 HSD17B1 (0.41) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960675 0.86 RAB9A (0.35) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960584 0.86 CHRNB2 (0.42) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960782 0.86 GPBAR1 (0.39) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9960629 0.85 RAB9A (0.42) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL9960710 0.85 HSD17B2 (0.44)
SCHEMBL9960746 0.83 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9960699 0.83 LIPE (0.39) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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 28 patents — showing the first 20. 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-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US claimed
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN 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
EP-3004036-B1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LTD (IE) 2017-11-22 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
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 WO disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN 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 RAB9A 908/4885SMN1; SMN2 4677/4885NPC1 1253/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RAB9A 908/4885SMN1; SMN2 4677/4885NPC1 1253/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RAB9A 908/4885SMN1; SMN2 4677/4885NPC1 1253/4885

“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.