SCHEMBL9957119

SCHEMBL9957119

Cc1cc(C(=O)Cl)c(C)n1C1CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.72
ALDH1A1 P00352 8/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1714277 0.84 NOTUM (1.00) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL17468793 0.84 NOTUM (0.74) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL15997850 0.76 NOTUM (0.84) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL14886586 0.76 NOTUM (0.84) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL15714770 0.76 NOTUM (0.67) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL14886588 0.73 NOTUM (0.79) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL2930813 0.71 L3MBTL1 (0.44) NOTUMALDH1A1MAPTKDM4EHTT
SCHEMBL14886590 0.70 NOTUM (0.55) NOTUMALDH1A1MAPTKDM4ERAB9A
SCHEMBL23559526 0.69 NPC1 (0.54) NOTUMALDH1A1MAPTKDM4ERAB9A
SCHEMBL23524556 0.68 SMN1; SMN2 (0.60) NOTUMALDH1A1MAPTKDM4ERAB9A

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 11 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 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-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN 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
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 NOTUM 3011/4885ALDH1A1 2810/4885MAPT 4738/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885ALDH1A1 2810/4885MAPT 4738/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG NOTUM 3011/4885ALDH1A1 2810/4885MAPT 4738/4885

“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.