SCHEMBL1462468

SCHEMBL1462468

CC(C)C(O)(CC(=O)O)C(=O)O.CC(C)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.58
CPT2 P23786 2/20 0.58
HSPD1 P10809 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL59972 1.00 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1409965 1.00 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
Cadaverine Tartrate SCHEMBL9398238 0.89 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
Malic Acid SCHEMBL29107079 0.84 SMN1; SMN2 (0.54) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL13176929 0.83 CPT2 (0.40) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL18283302 0.83 ACLY (0.61) ACLYCPT2HSPD1BLMHSPE1
Leucine SCHEMBL935696 0.82 SLC7A5 (0.60) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17632510 0.82 ACLY (0.50) ACLYCPT2HSPD1BLMHSPE1
Leucine SCHEMBL935695 0.82 SLC7A5 (0.60) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL18283331 0.81 CPT2 (0.39) ACLYCPT2HSPD1BLMHSPE1

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-20110250660-A1 METHOD FOR PRODUCING ALDEHYDE FROM CO2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-13 US disclosed
US-20110201083-A1 PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-18 US disclosed
EP-2346991-A2 PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS The Regents Of The University Of California (US) 2011-07-27 EP disclosed
WO-2011088425-A2 ELECTRO-AUTOTROPHIC SYNTHESIS OF HIGHER ALCOHOLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 WO disclosed
WO-2011037598-A1 CONVERSION OF CO2 TO HIGHER ALCOHOLS USING RECOMBINANT PHOTOSYNTHETIC MICROORGANISMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-31 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-20110201083-A1 PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS ADH5, ADH1C, ADH1A ACLY 1169/4885CPT2 416/4885HSPD1 2653/4885

“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.