SCHEMBL455188

SCHEMBL455188

C=CC(=C)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
GSK3B P49841 1/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 4/20 0.42
PKM P14618 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL11661180 0.81 CES2 (0.54) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2540583 0.80 CES2 (0.44) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9620186 0.79 CES2 (0.47) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2901449 0.78 LMNA (0.54) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL22947616 0.78 ALDH1A1 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL18413039 0.78 ALDH1A1 (0.47) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL19191141 0.77 CES2 (0.48) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL585346 0.77 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1408599 0.77 CES2 (0.58) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL24327301 0.76 ALDH1A1 (0.46) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218003-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2024-07-04 US disclosed
WO-2024004963-A1 ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT-FORMING COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT 三菱ケミカル株式会社 2024-01-04 WO disclosed
US-20230389344-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20220407013-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2022-12-22 US disclosed
US-20220216424-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-07 US disclosed
EP-3356369-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2022-05-04 EP disclosed
US-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-28 US disclosed
US-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-03 US disclosed
US-11239435-B2 Iridium complex and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-02-01 US disclosed
US-11225602-B2 Light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-01-18 US disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
EP-0906257-B1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AG (DE) 2001-07-25 EP disclosed
US-6200460-B1 MIXTURE COMPRISING VINYL AROMATIC COMPOUND, ACTIVE AMOUNT OF MIXTURE WHICH INHIBITS THE PREMATURE POLYMERIZATION OF SAID COMPOUND COMPRISING NOXYL COMPOUND, IRON COMPOUND, OPTIONALLY NITRO COMPOUNDS AND COSTABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
WO-2000069793-A1 MIXTURE OF SUBSTANCES, COMPRISING STABILISERS AND COMPOUNDS WHICH CONTAIN VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
US-6143205-A A MIXTRUE COMPRISES A VINYL-CONTAINING MONOMERS, AND A MIXTURE OF PREMATURE POLYMERIZATION INHIBITOR OF MONOMERS DURING PURIFICATION OR DISTILLATION COMPRISING A N-OXYL COMPOUND OF SECONDARY AMINE AND A NITRO COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
WO-1999060072-A1 SUBSTANCE MIXTURES WHICH COMPRISE COMPOUNDS CONTAINING VINYL GROUPS AND WHICH COMPRISE STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0944563-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0906257-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1998025872-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1997046504-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 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-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, TLL1, TLL2 CES2 2520/4885CES1 2650/4885LMNA 1791/4885
US-20240218003-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OXA1L, LAS1L CES2 3872/4885CES1 2184/4885LMNA 1379/4885
US-11239435-B2 Iridium complex and organic electroluminescence device using the same OPA1, MT-ND5, IMPA1 CES2 4398/4885CES1 4646/4885LMNA 4653/4885
US-20220216424-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM CES2 213/4885CES1 4353/4885LMNA 3140/4885
US-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, L1CAM CES2 633/4885CES1 1950/4885LMNA 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.