SCHEMBL8135367

SCHEMBL8135367

Cc1cc(C)c(C#N)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
MAPT P10636 1/20 0.43
HAVCR2 Q8TDQ0 1/20 0.43
RECQL P46063 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
UPP1 Q16831 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.37
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1926225 0.89 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL13677558 0.84 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL22146590 0.83 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL7906022 0.80 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL7152228 0.80 TSHR (0.39) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL25353332 0.78 UPP1 (0.46) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL30439550 0.78 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL18316505 0.78 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL21425653 0.78 UPP1 (0.41) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL21095364 0.77 KDM4E (0.42) KDM4EHPGDALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) UDC IRELAND LIMITED (IE) 2024-05-07 US disclosed
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) UDC IRELAND LIMITED (IE) 2024-05-07 US disclosed
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2024-02-29 US disclosed
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2024-02-29 US disclosed
EP-3848352-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME Kyushu University, National University Corporation (JP) 2021-07-14 EP disclosed
US-20200136064-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2020-04-30 US disclosed
US-20140309428-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2014-10-16 US disclosed
US-20140309428-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2014-10-16 US disclosed
US-7803948-B2 Method for the isomerisation of transition metal complexes containing cyclometallated, carbene ligands BASF AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
EP-1899359-B1 METHOD FOR THE ISOMERISATION OF TRANSITION METAL COMPLEXES CONTAINING CYCLOMETALLATED, CARBENE LIGANDS BASF SE (DE) 2009-09-02 EP disclosed
EP-1819717-B1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-07-08 EP disclosed
US-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
EP-0790997-B1 6-ARYL PYRIDO[2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2000-03-22 EP disclosed
US-5952342-A 1,6-NAPHTHYRIDINES EFFECTIVE IN TREATING ATHEROSCLEROSIS, RESTENOSIS AND PSORIASIS; ANTICARCINOGENIC AND -PROLIFERATIVE AGENTS; BACTERICIDES WARNER-LAMBERT COMPANY (US) 1999-09-14 US disclosed
US-5733913-A TREATING ATHEROSCLEROSIS, POSTSURGICAL RESTENOSIS WARNER-LAMBERT COMPANY 1998-03-31 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 (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-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands SCO2, CYC1, CHRM1 KDM4E 4387/4885HPGD 1932/4885ALDH1A1 2599/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG KDM4E 4325/4885HPGD 1454/4885ALDH1A1 1981/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG KDM4E 4325/4885HPGD 1454/4885ALDH1A1 1981/4885
US-20200136064-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG KDM4E 4325/4885HPGD 1454/4885ALDH1A1 1981/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG KDM4E 4325/4885HPGD 1454/4885ALDH1A1 1981/4885

“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.