SCHEMBL10041720

SCHEMBL10041720

CC1(C)OB(c2cc(-c3ccccc3)ccc2C=O)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.53
LPL P06858 7/20 0.53
PTPN1 P18031 3/20 0.40
PTPN2 P17706 2/20 0.40
IP6K1 Q92551 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
P4HB P07237 1/20 0.35
RAB9A P51151 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
ERN1 O75460 2/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL10041725 0.88 LIPG (0.53) LIPGLPLPTPN1PTPN2IP6K1
SCHEMBL29396497 0.88 LIPG (0.53) LIPGLPLPTPN1PTPN2IP6K1
SCHEMBL10041730 0.87 LIPG (0.59) LIPGLPLKDM4EALDH1A1MAPT
SCHEMBL28356273 0.83 CTSD (0.38) LIPGLPLMEN1ALDH1A1KMT2A
SCHEMBL1233067 0.83 PGR (0.43) LIPGLPLALDH1A1
SCHEMBL12568467 0.81 IP6K1 (0.37) LIPGLPLPTPN1PTPN2IP6K1
SCHEMBL29398991 0.81 ERN1 (0.50) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL1135235 0.80 LIPG (0.36) LIPGLPLIP6K1MAPTNPC1
SCHEMBL28476218 0.80 ALDH1A1 (0.37) LIPGLPLIP6K1KDM4EMEN1
SCHEMBL861866 0.79 LMNA (0.43) LIPGLPLMEN1ALDH1A1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
US-20180000089-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-04 US disclosed
EP-3244741-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2017-11-22 EP disclosed
WO-2016113313-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-07-21 WO disclosed
WO-2016113313-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-07-21 WO disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 EP disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 LIPG 3725/4885LPL 4810/4885PTPN1 3101/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 LIPG 3725/4885LPL 4810/4885PTPN1 3101/4885
US-20180000089-A1 NOVEL MICROBIOCIDES MSR1, MPO, CD209 LIPG 406/4885LPL 3037/4885PTPN1 1517/4885

“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.