SCHEMBL9960786

SCHEMBL9960786

CN(Cc1ccccc1)C(=O)OC1=CC(O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
ACHE P22303 1/20 0.39
HPGD P15428 1/20 0.39
RIPK1 Q13546 1/20 0.39
LIPE Q05469 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9960884 0.88 NPY5R (0.40) ACHE
SCHEMBL9960629 0.82 RAB9A (0.42) NPC1RAB9AKMT2AALDH1A1ACHE
SCHEMBL9960714 0.81 PTGIR (0.38) KMT2AACHEL3MBTL1
SCHEMBL9960693 0.81 ACHE (0.43) ACHE
SCHEMBL9960496 0.80 RAB9A (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9960719 0.79 MEN1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9960746 0.77 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9960723 0.76 KMT2A (0.36) NPC1RAB9AKMT2AMEN1ACHE
SCHEMBL27945140 0.75 NPC1 (0.33) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9960699 0.74 LIPE (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1

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 23 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
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
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN 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 NPC1 1253/4885RAB9A 908/4885CA12 1902/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NPC1 1253/4885RAB9A 908/4885CA12 1902/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NPC1 1253/4885RAB9A 908/4885CA12 1902/4885

“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.