SCHEMBL9580919

SCHEMBL9580919

CC(O)(CCC(=O)O)CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.67
CHRM1 P11229 1/20 0.67
TBXA2R P21731 1/20 0.67
ADRA1A P35348 1/20 0.67
FFAR1 O14842 1/20 0.44
CPT2 P23786 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL28085842 0.86 HMGCR (0.61) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL17956708 0.84 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL9242668 0.82 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1AFFAR1
Meglutol SCHEMBL28443 0.81 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1AFFAR1
Meglutol SCHEMBL8718194 0.81 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL31117460 0.81 HMGCR (0.54) HMGCRCHRM1TBXA2RADRA1AFFAR1
Mevalonic Acid SCHEMBL120276 0.80 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
Mevalonic Acid SCHEMBL120275 0.80 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL333179 0.80 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1
Mevalonic Acid SCHEMBL8854071 0.80 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162148-A1 METHOD OF PRODUCING ALPHA,BETA-UNSATURATED DICARBOXYLIC ACID ESTER TORAY INDUSTRIES, INC. (JP) 2022-05-26 US disclosed
CN-111809068-B Preparation method of ammonium metavanadate for all-vanadium redox flow battery 中国科学院过程工程研究所 2020-12-15 CN disclosed
CN-111809068-A Preparation method of ammonium metavanadate for all-vanadium redox flow battery 中国科学院过程工程研究所 2020-10-23 CN disclosed
US-5214049-A Blend of polyphenylene ether, thermoplastic polyester and a hydroxycarboxylic acid or derivative; workability; solvent resistance; mechanical properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-25 US disclosed
EP-0368283-A2 Resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-05-16 EP 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-20220162148-A1 METHOD OF PRODUCING ALPHA,BETA-UNSATURATED DICARBOXYLIC ACID ESTER DHCR24, ACADM, DHCR7 HMGCR 20/4885CHRM1 1914/4885TBXA2R 3634/4885

“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.