SCHEMBL9959356

SCHEMBL9959356

CCCCCC1=CC(O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
CNR1 P21554 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
HTR6 P50406 2/20 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
SCHEMBL28015994 0.80 ACHE (0.34) BCHEACHEHTR6
SCHEMBL28003598 0.79 HTR6 (0.50) PTPN1CNR1BCHEACHEHTR6
SCHEMBL6055979 0.79 PTPN1 (0.49) PTPN1CYSLTR2CYSLTR1CNR1BCHE
SCHEMBL2463719 0.78 MAPT (0.50)
SCHEMBL17417245 0.78 MAPT (0.50)
SCHEMBL6866716 0.78 MAPT (0.50)
Acetic Acid SCHEMBL9526438 0.78 RXFP1 (0.46)
SCHEMBL8158524 0.78 PTPN1 (0.41) PTPN1CYSLTR2CYSLTR1CNR1BCHE
SCHEMBL27711027 0.76 PTPN1 (0.40) PTPN1CYSLTR2CYSLTR1CNR1BCHE
SCHEMBL8160512 0.75 CNR1 (0.40) PTPN1CYSLTR2CYSLTR1CNR1BCHE

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10583140-B2 Ingenol analogs, pharmaceutical compositions and methods of use thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-10 US disclosed
US-20190030029-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
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
WO-2017130156-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-08-03 WO disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US disclosed
US-9409931-B1 3-O-acyl-ingenol analogues LEO LABORATORIES LIMITED (IE) 2016-08-09 US disclosed
US-9409931-B1 3-O-acyl-ingenol analogues LEO LABORATORIES LIMITED (IE) 2016-08-09 US disclosed
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
US-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO 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 (6 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 PTPN1 4199/4885CYSLTR2 178/4885CYSLTR1 120/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG PTPN1 3641/4885CYSLTR2 193/4885CYSLTR1 102/4885
US-20130331446-A1 3-ACYL-INGENOLS II IL33, CXCL8, MMP8 PTPN1 4485/4885CYSLTR2 47/4885CYSLTR1 55/4885
US-20190030029-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF ERG28, PTH1R, CCR5 PTPN1 3530/4885CYSLTR2 144/4885CYSLTR1 187/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG PTPN1 3641/4885CYSLTR2 193/4885CYSLTR1 102/4885
US-10583140-B2 Ingenol analogs, pharmaceutical compositions and methods of use thereof ERG28, PTH1R, CCR5 PTPN1 3530/4885CYSLTR2 144/4885CYSLTR1 187/4885

“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.