SCHEMBL755602

SCHEMBL755602

c1ccc(Cc2cn(-c3ccccc3)c(-c3cc(-c4nc(Cc5ccccc5)cn4-c4ccccc4)cc(-c4nc(Cc5ccccc5)cn4-c4ccccc4)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL9715787 0.92 GABRA2 (0.47) GABRA2GABRB2
SCHEMBL346645 0.74 NPC1 (0.40) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14513797 0.73 PTGS2 (0.52) GABRA2GABRB2L3MBTL1
SCHEMBL5594689 0.72 PTGS2 (0.72)
SCHEMBL5594568 0.72 PTGS2 (0.72)
SCHEMBL5594575 0.72 PTGS2 (0.60)
SCHEMBL5594686 0.72 PTGS2 (0.60)
SCHEMBL28237437 0.71 GABRA2 (0.52) GABRA2GABRB2
SCHEMBL10332224 0.69 GABRA1 (0.46) GABRB2ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL18193014 0.66 DRD2 (0.58)

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
US-11692131-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes UDC IRELAND LIMITED (IE) 2023-07-04 US disclosed
US-20190322929-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES UDC IRELAND LTD (IE) 2019-10-24 US disclosed
US-10385263-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes (OLEDS) UDC IRELAND LIMITED (IE) 2019-08-20 US disclosed
CN-101460515-B Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes (OLEDs) BASF SE 2013-05-15 CN disclosed
US-8373159-B2 Organic light-emitting diodes comprising carbene-transition metal complex emitter, and at least one compound selected from disilylcarbazoles, disilyldibenzofurans, disilyldibenzothiophenes, disilyldibenzophospholes, disilyldibenzothiophene s-oxides and disilyldibe BASF SE (DE) 2013-02-12 US disclosed
EP-2007779-B1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2012-03-21 EP disclosed
US-7989091-B2 Silanes containing phenothiazine-S-oxide or phenothiazine-S,S-dioxide groups and the use thereof in OLEDs BASF SE (DE) 2011-08-02 US disclosed
EP-2150556-B1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2011-01-12 EP disclosed
US-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2010-09-02 US disclosed
US-20100187980-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2010-07-29 US disclosed
US-20090096367-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-04-16 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-20090096367-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG GABRA2 1362/4885GABRB2 1672/4885ALDH1A1 1119/4885
US-20100187980-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS OPRD1, PPID, PLOD2 GABRA2 2152/4885GABRB2 2452/4885ALDH1A1 980/4885
US-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, GRIN2B, DRD1 GABRA2 230/4885GABRB2 83/4885ALDH1A1 1149/4885
US-20190322929-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES CLTB, CLTC, CYBA GABRA2 565/4885GABRB2 880/4885ALDH1A1 1498/4885
US-11692131-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes CLTB, CLTC, CYBA GABRA2 565/4885GABRB2 880/4885ALDH1A1 1498/4885
US-10385263-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes (OLEDS) OCIAD2, OCIAD1, ICOSLG GABRA2 1362/4885GABRB2 1672/4885ALDH1A1 1119/4885

“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.