SCHEMBL13870168

SCHEMBL13870168

CC(C)Oc1cc(OC(C)(C)C=O)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ GCK P35557 12/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL151012 0.82 KMT2A (0.64) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL1793221 0.82 KMT2A (0.49) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL2563350 0.80 KMT2A (0.50) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL17060010 0.79 KMT2A (0.64) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL13678485 0.77 KMT2A (0.47) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL18311267 0.76 KMT2A (0.56) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL2657806 0.76 KMT2A (0.56) KMT2AALDH1A1RXRARXRBGCK
Methane SCHEMBL1793222 0.73 KMT2A (0.53) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL16726999 0.73 TPMT (0.57) KMT2AALDH1A1RXRARXRBGCK
SCHEMBL21886332 0.73 CA1 (0.52) KMT2AALDH1A1RXRARXRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — 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 (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-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 KMT2A 1974/4885ALDH1A1 1137/4885RXRA 3686/4885

“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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