SCHEMBL1983275

SCHEMBL1983275

CC(=O)CC(=O)C(=O)OO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.30

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
Alcohol SCHEMBL1996535 0.80 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL351192 0.80 MGAM (0.52) MGAMGAASIMGAM2HTT
SCHEMBL183336 0.79 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28794549 0.78 MGAM (0.43) MGAMGAASIMGAM2HTT
SCHEMBL12533440 0.76 MGAM (0.42) MGAMGAASIMGAM2HTT
SCHEMBL28785847 0.76 MGAM (0.42) MGAMGAASIMGAM2HTT
SCHEMBL16634434 0.76 ALDH1A1 (0.45) MGAMGAASIMGAM2HTT
SCHEMBL11223569 0.75 MGAM (0.50) MGAMGAASIMGAM2HTT
SCHEMBL8444752 0.72 MGAM (0.39) MGAMGAASIMGAM2HTT
SCHEMBL12702651 0.72 GAA (0.39) MGAMGAASIMGAM2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP claimed
EP-2513063-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-10-24 EP claimed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 WO claimed
US-11060079-B2 Methods and microorganisms for producing flavors and fragrance chemicals ARDRA INC. (CA) 2021-07-13 US disclosed
US-20190177713-A1 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS ARDRA INC. (CA) 2019-06-13 US disclosed
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
EP-2513063-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-10-24 EP disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 WO 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 (1 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-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives AADAC, CYP4X1, CYP4Z1 MGAM 1914/4885GAA 2251/4885SI 1126/4885

“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.