SCHEMBL692583

SCHEMBL692583

O=C(/C=C/c1ccccc1)NC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
MAOB P27338 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL692584 1.00 CYP1A2 (0.70) CYP1A2NPC1RAB9AALDH1A1POLB
SCHEMBL13169532 0.98 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1POLB
SCHEMBL28456976 0.98 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1POLB
SCHEMBL28891768 0.98 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1POLB
SCHEMBL7040434 0.93 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1DRD2
SCHEMBL21593634 0.93 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1DRD2
SCHEMBL7040433 0.93 DRD2 (0.63) CYP1A2NPC1RAB9AALDH1A1DRD2
SCHEMBL15418864 0.87 DRD2 (0.57) CYP1A2NPC1RAB9ADRD2HTR2A
SCHEMBL15418866 0.87 DRD2 (0.57) CYP1A2NPC1RAB9ADRD2HTR2A
SCHEMBL11904296 0.87 SMN1; SMN2 (0.65) CYP1A2DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196013-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2013-08-01 US claimed
EP-2601840-A2 Chemical and biological agents for the control of molluscs Marrone Bio Innovations, Inc. (US) 2013-06-12 EP claimed
US-20130121978-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2013-05-16 US claimed
EP-2421375-A2 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS Marrone Bio Innovations, Inc. (US) 2012-02-29 EP claimed
WO-2010123894-A2 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-28 WO claimed
US-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-21 US claimed
EP-2601840-B1 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS INC (US) 2017-02-01 EP disclosed
EP-2601840-B1 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS INC (US) 2017-02-01 EP disclosed
EP-2710892-B1 Use of sarmentine and its analogs for controlling weeds MARRONE BIO INNOVATIONS INC (US) 2016-12-14 EP disclosed
EP-2710892-B1 Use of sarmentine and its analogs for controlling weeds MARRONE BIO INNOVATIONS INC (US) 2016-12-14 EP disclosed
US-9414590-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2016-08-16 US disclosed
US-9414590-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2016-08-16 US disclosed
US-9414590-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2016-08-16 US disclosed
WO-2011011415-A2 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS MARRONE BIO INNOVATIONS, INC. (US) 2011-01-27 WO disclosed
WO-2011011415-A2 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS MARRONE BIO INNOVATIONS, INC. (US) 2011-01-27 WO disclosed
WO-2010123894-A2 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-28 WO disclosed
WO-2010123894-A2 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-28 WO disclosed
US-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-21 US disclosed
US-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-21 US disclosed
US-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2010-10-21 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 (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-20100266717-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS ACHE, POLI, POLL CYP1A2 1971/4885NPC1 4838/4885RAB9A 448/4885
US-20130196013-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS ACHE, POLI, POLL CYP1A2 1971/4885NPC1 4838/4885RAB9A 448/4885
US-20130121978-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS ACHE, POLI, POLL CYP1A2 1971/4885NPC1 4838/4885RAB9A 448/4885

“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.