SCHEMBL3726097

SCHEMBL3726097

Nc1ccccc1-c1cccc(CO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
PRKCI P41743 1/20 0.49
FYN P06241 2/20 0.45
HTR1A P08908 1/20 0.44
GPR68 Q15743 1/20 0.44
HTR7 P34969 1/20 0.44
PI4K2A Q9BTU6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CNR2 P34972 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL15498628 0.84 PRKCI (0.55) ALDH1A1HSD17B10PRKCIFYNHTR1A
SCHEMBL3790240 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10HTR7L3MBTL1ENPP2
SCHEMBL4701513 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10HTR7L3MBTL1LRRK2
SCHEMBL393770 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1ADORA3ADORA2A
SCHEMBL3786505 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10PRKCIHTR1AGPR68
SCHEMBL358974 0.80 PRKCI (0.44) ALDH1A1HSD17B10PRKCIFYNHTR1A
SCHEMBL16745261 0.80 MAP2K4 (0.49) PRKCIFYNHTR1AGPR68HTR7
SCHEMBL28943563 0.80 PLA2G10 (0.47) ALDH1A1HSD17B10HTR7
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1ADORA3ADORA2A
SCHEMBL27787239 0.79 ALDH1A1 (0.89) ALDH1A1HSD17B10L3MBTL1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
EP-2673284-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-30 EP disclosed
EP-2673283-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-23 EP disclosed
EP-2882764-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-03-01 EP disclosed
EP-2882823-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-22 EP disclosed
EP-2880042-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-01 EP disclosed
US-9499573-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-11-22 US disclosed
US-9499573-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-11-22 US disclosed
EP-2880123-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2016-10-05 EP disclosed
EP-2880043-B1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2016-09-21 EP disclosed
WO-2014019710-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
WO-2012107420-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
WO-2012107419-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 US disclosed
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 US disclosed
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 US disclosed
WO-2010102709-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-09-16 WO disclosed
WO-2010102709-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-09-16 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (3 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-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels HLCS, PDCD2L, LAS1L ALDH1A1 1757/4885HSD17B10 2722/4885PRKCI 2034/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885HSD17B10 1100/4885PRKCI 4454/4885
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, L1CAM, VCL ALDH1A1 208/4885HSD17B10 4011/4885PRKCI 3217/4885

“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.