SCHEMBL5464435

SCHEMBL5464435

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HMGCR P04035 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TET2 Q6N021 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ FFAR3 O14843 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31

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
SCHEMBL85493 0.81 TSHR (0.57) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2555145 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635068 0.77 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635066 0.77 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3133206 0.77 — —
SCHEMBL3112519 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL17373265 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL28302008 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL27667108 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL301639 0.74 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043054-A1 Enzyme cofactor combination for supplementing pyruvate dehydrogenase and alpha ketogluterate dehydrogenase complexes HOWARD JAMES R 2007-02-22 — — US disclosed
WO-2005089765-A1 ENZYME COFACTOR COMBINATION FOR SUPPLEMENTING PYRUVATE DEHYDROGENASE AND ALPHA KETOGLUTERATE DEHYDROGENASE COMPLEXES HOWARD JAMES R (US) 2005-09-29 — — 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-20070043054-A1 Enzyme cofactor combination for supplementing pyruvate dehydrogenase and alpha ketogluterate dehydrogenase complexes ME1, SLC19A2, GYS1 TSHR 1785/4885ALDH1A1 551/4885HMGCR 105/4885

“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.

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