SCHEMBL987088

SCHEMBL987088

O=C(O)CCCC1=CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HPGD P15428 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
EPHX1 P07099 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
FFAR1 O14842 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL988106 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL12132006 0.94 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL11801847 0.93 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL7150330 0.93 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL28343241 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL988376 0.88 TAAR1 (0.53) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL9533116 0.87 F13A1 (0.47) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL2477399 0.87 F13A1 (0.47) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL4558608 0.87 F13A1 (0.47) ALDH1A1MEN1KMT2AHPGDTAAR1
SCHEMBL31261412 0.87 F13A1 (0.47) ALDH1A1MEN1KMT2AHPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573287-B1 Heat transfer fluid corrosion inhibitors TEXACO CHEMICAL (US) 1995-08-23 EP claimed
EP-0573287-A1 Heat transfer fluid corrosion inhibitors TEXACO DEVELOPMENT CORPORATION (US) 1993-12-08 EP claimed
US-5242621-A Antifreezes with storage stability TEXACO CHEMICAL CO. (US) 1993-09-07 US claimed
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
US-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 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
US-20110021358-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS MARRONE BIO INNOVATIONS, INC. (US) 2011-01-27 US disclosed
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF ZEILLER JEAN JACQUES 2009-11-19 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 (6 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 ALDH1A1 3904/4885MEN1 3542/4885KMT2A 1428/4885
US-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX ALDH1A1 1756/4885MEN1 4626/4885KMT2A 1241/4885
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX ALDH1A1 1756/4885MEN1 4626/4885KMT2A 1241/4885
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF GPR119, LIPA, ALOX5 ALDH1A1 692/4885MEN1 3720/4885KMT2A 4550/4885
US-20110021358-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM ALDH1A1 3904/4885MEN1 3542/4885KMT2A 1428/4885
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM ALDH1A1 3904/4885MEN1 3542/4885KMT2A 1428/4885

“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.