SCHEMBL460132

SCHEMBL460132

CCCCCCOC(=O)CC(ON=C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
RAD52 P43351 1/20 0.42
FAAH O00519 5/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL12518166 0.78 SMPD1 (0.49) NAAANPSR1RAD52
SCHEMBL22915292 0.77 NAAA (0.50) NAAANPSR1RAD52FAAHTSHR
SCHEMBL28565643 0.76 NAAA (0.62) NAAANPSR1RAD52FAAHTSHR
SCHEMBL9294252 0.75 NAAA (0.49) NAAANPSR1RAD52FAAHTSHR
SCHEMBL9294163 0.75 NAAA (0.49) NAAANPSR1RAD52FAAHTSHR
SCHEMBL9295177 0.75 NAAA (0.49) NAAANPSR1RAD52FAAHTSHR
SCHEMBL9294434 0.75 NAAA (0.49) NAAANPSR1RAD52FAAHTSHR
SCHEMBL8669263 0.75 NAAA (0.60) NAAANPSR1RAD52FAAHTSHR
SCHEMBL18915838 0.74 ALDH1A1 (0.50) NAAANPSR1RAD52FAAHTSHR
SCHEMBL18221057 0.74 ALDH1A1 (0.50) NAAANPSR1RAD52FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118632626-A (1, 4, 5-Trisubstituted-1H-pyrazol-3-yl) oxy-2-alkoxythioalkyl acids and derivatives thereof, salts thereof and use thereof as herbicidal agents 拜耳公司 2024-09-10 CN disclosed
US-10301257-B2 Use of acylsulfonamides for improving plant yield BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-05-28 US disclosed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
US-20150291518-A1 USE OF ACYLSULFONAMIDES FOR IMPROVING PLANT YIELD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-15 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-8912124-B2 Use of derivatives of (1-cyanocyclopropyl)phenylphosphinic acid, esters thereof and/or salts thereof for enhancing tolerance in plants to abiotic stress BAYER CROPSCIENCE AG (DE) 2014-12-16 US disclosed
US-20140302991-A1 USE OF PHENYLPYRAZOLIN-3-CARBOXYLATES FOR IMPROVING PLANT YIELD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants BAYER CROPSCIENCE AG (DE) 2012-03-29 US disclosed
US-20120022112-A1 USE OF ANTHRANILAMIDE DERIVATIVES FOR CONTROLLING INSECTS AND SPIDER MITES BY DRENCHING, SOIL MIXING, FURROW TREATMENT, DRIP APPLICATION, SOIL, STEM OR FLOWER INJECTION, IN HYDROPONIC SYSTEMS, BY PLANTING HOLE TREATMENT OR DIP APPLICATION, FLOATING OR SEEDBOX APPLICATION OR BY TREATING SEED, AND ALSO FOR ENHANCING THE STRESS TOLERANCE OF PLANTS TO ABIOTIC STRESS BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BAYER CROPSCIENCE AG (DE) 2011-09-08 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 (9 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-20140302991-A1 USE OF PHENYLPYRAZOLIN-3-CARBOXYLATES FOR IMPROVING PLANT YIELD CBR3, NAT1, HRH4 NAAA 568/4885NPSR1 1245/4885RAD52 2061/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD NAAA 637/4885NPSR1 1989/4885RAD52 2870/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 NAAA 1335/4885NPSR1 209/4885RAD52 2301/4885
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST NAAA 24/4885NPSR1 733/4885RAD52 2660/4885
US-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BOLA2; BOLA2B, ARFIP2, PFAS NAAA 107/4885NPSR1 3833/4885RAD52 1007/4885
US-20120022112-A1 USE OF ANTHRANILAMIDE DERIVATIVES FOR CONTROLLING INSECTS AND SPIDER MITES BY DRENCHING, SOIL MIXING, FURROW TREATMENT, DRIP APPLICATION, SOIL, STEM OR FLOWER INJECTION, IN HYDROPONIC SYSTEMS, BY PLANTING HOLE TREATMENT OR DIP APPLICATION, FLOATING OR SEEDBOX APPLICATION OR BY TREATING SEED, AND ALSO FOR ENHANCING THE STRESS TOLERANCE OF PLANTS TO ABIOTIC STRESS CDY1; CDY1B, DHX9, DHX29 NAAA 351/4885NPSR1 145/4885RAD52 342/4885
US-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants PAH, ABAT, HPD NAAA 832/4885NPSR1 3225/4885RAD52 4525/4885
US-10301257-B2 Use of acylsulfonamides for improving plant yield ARSA, ACSS2, NAT1 NAAA 36/4885NPSR1 347/4885RAD52 4731/4885
US-20150291518-A1 USE OF ACYLSULFONAMIDES FOR IMPROVING PLANT YIELD ARSA, ACSS2, NAT1 NAAA 36/4885NPSR1 347/4885RAD52 4731/4885

“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.