SCHEMBL989102

SCHEMBL989102

O=C(O)CCCN1C=CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
TSHR P16473 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRR2 P28476 1/20 0.34
SLC6A1 P30531 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL15415736 0.84 LMNA (0.41) CYP1A2MAPK1SMN1; SMN2LMNASLC22A6
SCHEMBL2113300 0.77 GLA (0.38) CYP1A2MAPK1SMN1; SMN2LMNATSHR
SCHEMBL10389443 0.77 HSD17B10 (0.32)
SCHEMBL10813588 0.75 KEAP1 (0.34) SMN1; SMN2CYP2D6
SCHEMBL27191526 0.72 CYP1A2 (0.47) CYP1A2MAPK1SMN1; SMN2LMNASLC22A6
SCHEMBL14288717 0.72 HSD17B10 (0.31) CYP1A2MAPK1SMN1; SMN2
SCHEMBL371279 0.72 GNAI3 (0.33) CYP1A2MAPK1SMN1; SMN2LMNANPSR1
SCHEMBL4643767 0.70
Glutarate SCHEMBL4060585 0.69 SLC22A6 (0.58) CYP1A2MAPK1SMN1; SMN2LMNASLC22A6
Adipic Acid SCHEMBL4049809 0.69 LMNA (0.58) LMNASLC22A6TSHRBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9832996-B2 Use of sarmentine and its analogues with an herbicide, and compositions thereof MARRONE BIO INNOVATIONS, INC. (US) 2017-12-05 US disclosed
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof PRO FARM GROUP, INC. 2017-07-13 US disclosed
EP-2710892-B1 Use of sarmentine and its analogs for controlling weeds MARRONE BIO INNOVATIONS INC (US) 2016-12-14 EP disclosed
US-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof MARRONE BIO INNOVATIONS INC (US) 2016-07-28 US disclosed
US-9179675-B2 Use of sarmentine and its analogs for controlling plant pests MARRONE BIO INNOVATIONS, INC. (US) 2015-11-10 US disclosed
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS PRO FARM GROUP, INC. 2015-04-23 US disclosed
WO-2015050705-A1 USE OF SARMENTINE AND ITS ANALOGUES WITH AN HERBICIDE, AND COMPOSITIONS THEREOF MARRONE BIO INNOVATIONS, INC. (US) 2015-04-09 WO disclosed
US-8957000-B2 Use of sarmentine and its analogs for controlling plant pests MARRONE BIO INNOVATIONS, INC. (US) 2015-02-17 US disclosed
EP-2710892-A2 Use of sarmentine and its analogs for controlling plant pests Marrone Bio Innovations, Inc. (US) 2014-03-26 EP disclosed
US-20130281294-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS PRO FARM GROUP, INC. 2013-10-24 US disclosed
US-8466192-B2 Use of sarmentine and its analogs for controlling plant pests MARRONE BIO INNOVATIONS, INC. (US) 2013-06-18 US disclosed
EP-2456305-A2 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS Marrone Bio Innovations, Inc. (US) 2012-05-30 EP disclosed
WO-2011011415-A2 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS MARRONE BIO INNOVATIONS, INC. (US) 2011-01-27 WO disclosed
US-20110021358-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS MARRONE BIO INNOVATIONS, INC. (US) 2011-01-27 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-20130281294-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM CYP1A2 1920/4885MAPK1 2622/4885SMN1; SMN2 1773/4885
US-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX CYP1A2 231/4885MAPK1 3183/4885SMN1; SMN2 2934/4885
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX CYP1A2 231/4885MAPK1 3183/4885SMN1; SMN2 2934/4885
US-20110021358-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM CYP1A2 1920/4885MAPK1 2622/4885SMN1; SMN2 1773/4885
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM CYP1A2 1920/4885MAPK1 2622/4885SMN1; SMN2 1773/4885

“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.