SCHEMBL1698306

SCHEMBL1698306

Cc1cc(C)c(C(=O)CC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS1R3 Q7RTX0 3/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ TAS1R2 Q8TE23 3/20 0.38
▸ VDR P11473 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11053483 0.83 MEN1 (0.51) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6907962 0.83 MEN1 (0.43) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL18535093 0.81 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL4320007 0.78 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1MAPTMAPK1
Phosphine SCHEMBL28030392 0.73 ALDH1A1 (0.41) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6908084 0.73 MEN1 (0.44) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6905835 0.73 ALDH1A1 (0.41) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL8412772 0.73 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL13543176 0.73 KDM4E (0.46) L3MBTL1KDM4EALDH1A1MAPTMAPK1
SCHEMBL11210247 0.73 MEN1 (0.50) L3MBTL1KDM4EALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477739-B1 PHOTO-LATENT TITANIUM CATALYSTS BASF SE (DE) 2019-04-10 — — EP disclosed
US-10207261-B2 Photo-latent titanium catalysts BASF SE (DE) 2019-02-19 — — US disclosed
US-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2019-01-01 — — US disclosed
US-20180090693-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-03-29 — — US disclosed
US-20180090693-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-03-29 — — US disclosed
EP-2991997-B1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-02-21 — — EP disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 — — EP disclosed
US-9590196-B2 Dinuclear metal complexes comprising carbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2017-03-07 — — US disclosed
US-9590196-B2 Dinuclear metal complexes comprising carbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2017-03-07 — — US disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 — — US disclosed
US-20150243912-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2015-08-27 — — US disclosed
US-20150171350-A1 DINUCLEAR METAL COMPLEXES COMPRISING CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LIMITED (IE) 2015-06-18 — — US disclosed
US-20150171350-A1 DINUCLEAR METAL COMPLEXES COMPRISING CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LIMITED (IE) 2015-06-18 — — US disclosed
US-20150005497-A1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2015-01-01 — — US disclosed
US-20150005497-A1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2015-01-01 — — US disclosed
WO-2014177518-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2014-11-06 — — WO disclosed
WO-2013104649-A1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2013-07-18 — — WO disclosed
US-20120220685-A1 PHOTO-LATENT TITANIUM CATALYSTS BASF SE (DE) 2012-08-30 — — US disclosed
EP-2477739-A1 PHOTO-LATENT TITANIUM CATALYSTS BASF SE (DE) 2012-07-25 — — EP disclosed
WO-2011032875-A1 PHOTO-LATENT TITANIUM CATALYSTS BASF SE (DE) 2011-03-24 — — 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 (5 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-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex NDUFS5, DDT, NDUFV2 L3MBTL1 1863/4885KDM4E 1275/4885ALDH1A1 367/4885
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines NDUFS2, OCIAD2, NDUFS3 L3MBTL1 2458/4885KDM4E 3445/4885ALDH1A1 1199/4885
US-20180090693-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD2, OCIAD1, TRPM6 L3MBTL1 3463/4885KDM4E 4841/4885ALDH1A1 2141/4885
US-20150243912-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, OXA1L L3MBTL1 3213/4885KDM4E 4844/4885ALDH1A1 1439/4885
US-20150171350-A1 DINUCLEAR METAL COMPLEXES COMPRISING CARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, PDCD6 L3MBTL1 3068/4885KDM4E 4799/4885ALDH1A1 2810/4885

“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.

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