SCHEMBL3698429

SCHEMBL3698429

C=C(OC)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLK1 P53350 1/20 0.52
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CDC25B P30305 2/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL3133999 0.83 PTK2B (0.53) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL1869296 0.81 PTK2B (0.59) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL14670296 0.80 TSHR (0.43) MAPTKMT2AKDM4EALDH1A1POLB
SCHEMBL20398190 0.79 PTK2B (0.46) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL13176787 0.79 TSHR (0.47) PTK2BL3MBTL1PLK1MAPTRAB9A
SCHEMBL20398173 0.79 PTK2B (0.46) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL71028 0.78 NR4A1 (0.56) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL3794319 0.78 PLK1 (0.54) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL30266106 0.78 PTK2B (0.53) PTK2BL3MBTL1PLK1MMP3HDAC8
SCHEMBL273123 0.77 PTK2B (0.55) PTK2BL3MBTL1PLK1MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 US disclosed
EP-2121771-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA Graphics NV (BE) 2009-11-25 EP disclosed
EP-2097458-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA Graphics NV (BE) 2009-09-09 EP disclosed
WO-2008074759-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2008-06-26 WO disclosed
WO-2008074758-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2008-06-26 WO disclosed
WO-2008061954-A1 NOVEL CO-INITIATORS AGFA GRAPHICS NV (BE) 2008-05-29 WO disclosed
WO-2008061957-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2008-05-29 WO disclosed
EP-1925609-A1 Novel-co-initiators Agfa Graphics N.V. (BE) 2008-05-28 EP disclosed
US-7175958-B2 Electrophotographic photoconductor, process for forming an image, image forming apparatus and process cartridge for the same RICOH COMPANY, LTD. (JP) 2007-02-13 US disclosed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 EP disclosed
WO-1996000200-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-04 WO disclosed
EP-0673381-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1995-09-27 EP disclosed
US-5430194-A Maintaining solution at temperature above eutectic temperature of mixture such that solubility limit of first aldehyde is exceeded to form crystalline first aldehyde containing less of second aldehyde UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-07-04 US disclosed
US-5360938-A Metal ligand complex phosphite hydrogenation catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-11-01 US disclosed
WO-1994020510-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1994-09-15 WO disclosed
EP-0600020-A1 ASYMMETRIC SYNTHESES. UNION CARBIDE CHEM PLASTIC (US) 1994-06-08 EP disclosed
WO-1993003839-A1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-04 WO disclosed
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US disclosed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 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 (1 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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 PTK2B 3866/4885L3MBTL1 2709/4885PLK1 4021/4885

“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.