SCHEMBL17831017

SCHEMBL17831017

Cc1c(C(C)C)cc2oc3ccccc3c2c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.41
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
VKORC1 Q9BQB6 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL2342021 0.83 KDM4E (0.40) MAOATNKSPARP1TNKS2PARP2
SCHEMBL28089760 0.80 MAOA (0.39) MAOATNKSPARP1TNKS2PARP2
SCHEMBL23776007 0.80 TNKS (0.42) MAOATNKSPARP1TNKS2PARP2
SCHEMBL21610895 0.79 MAOA (0.42) MAOATNKSPARP1TNKS2PARP2
SCHEMBL17154858 0.78 AHR (0.45) MAOATNKSPARP1TNKS2PARP2
SCHEMBL23776264 0.78 L3MBTL1 (0.39) MAOATNKSPARP1TNKS2PARP2
SCHEMBL17831018 0.76 MAOA (0.46) MAOATNKSPARP1TNKS2PARP2
SCHEMBL17818175 0.75 TNKS (0.34) MAOATNKSPARP1TNKS2PARP2
SCHEMBL1102418 0.74 HPGD (0.43) MAOATNKSPARP1TNKS2PARP2
SCHEMBL18760655 0.74 TNKS (0.47) MAOATNKSPARP1TNKS2PARP2

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-3126371-B1 METAL COMPLEXES, COMPRISING CARBENE LIGANDS HAVING AN O-SUBSTITUTED NON-CYCLOMETALATED ARYL GROUP AND THEIR USE IN ORGANIC LIGHT EMITTING DIODES UDC IRELAND LTD (IE) 2021-11-10 EP disclosed
US-10370396-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometallated aryl group and their use in organic light emitting diodes UDC IRELAND LIMITED (IE) 2019-08-06 US disclosed
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs UDC IRELAND LIMITED (IE) 2019-05-14 US disclosed
US-20190016740-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2019-01-17 US disclosed
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2018-05-10 US disclosed
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2018-05-10 US disclosed
US-9862739-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometalated aryl group and their use in organic light emitting diodes UDC IRELAND LIMITED (IE) 2018-01-09 US disclosed
US-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LIMITED (IE) 2017-06-29 US disclosed
US-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LIMITED (IE) 2017-06-29 US disclosed
US-20160172606-A1 LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS BASF SE (DE) 2016-06-16 US disclosed
US-20160172606-A1 LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS BASF SE (DE) 2016-06-16 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 (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-20160172606-A1 LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS OCIAD1, OCIAD2, OXA1L MAOA 40/4885TNKS 3650/4885PARP1 1692/4885
US-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 MAOA 121/4885TNKS 4225/4885PARP1 2170/4885
US-20190016740-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 MAOA 121/4885TNKS 4225/4885PARP1 2170/4885
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs OCIAD1, OCIAD2, OXA1L MAOA 40/4885TNKS 3650/4885PARP1 1692/4885
US-10370396-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometallated aryl group and their use in organic light emitting diodes ICOSLG, CD40LG, OCIAD1 MAOA 130/4885TNKS 4269/4885PARP1 2317/4885
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 MAOA 121/4885TNKS 4225/4885PARP1 2170/4885

“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.