SCHEMBL989101

SCHEMBL989101

O=C(O)CCCC1CCC=CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
PMP22 Q01453 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
ACHE P22303 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TARDBP Q13148 1/20 0.37

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
Hydrochloric Acid SCHEMBL17801451 0.77 SLC6A12 (0.43) ITGB3ITGA2B
SCHEMBL8534095 0.70 LMNA (0.42) LMNAHSD17B10TSHRPMP22ALDH1A1
SCHEMBL13730263 0.70
SCHEMBL8795941 0.69
SCHEMBL14706726 0.69 ALDH1A1 (0.54) LMNAHSD17B10TSHRPMP22ALDH1A1
SCHEMBL3102769 0.69
SCHEMBL16052319 0.69
SCHEMBL9182805 0.68 KDM4E (0.39) LMNAHSD17B10TSHRPMP22ALDH1A1
SCHEMBL197943 0.67 ITGB1 (0.40) LMNAHSD17B10TSHRPMP22ALDH1A1
SCHEMBL5940333 0.66 FDPS (0.43) LMNAMEN1BLMKMT2AALOX5

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 LMNA 3569/4885HSD17B10 4342/4885TSHR 3429/4885
US-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX LMNA 3357/4885HSD17B10 2247/4885TSHR 1632/4885
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX LMNA 3357/4885HSD17B10 2247/4885TSHR 1632/4885
US-20110021358-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM LMNA 3569/4885HSD17B10 4342/4885TSHR 3429/4885
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM LMNA 3569/4885HSD17B10 4342/4885TSHR 3429/4885

“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.