SCHEMBL13629033

SCHEMBL13629033

CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ ALOX5 P09917 2/20 0.72
▸ AKR1B10 O60218 1/20 0.72
▸ MAPT P10636 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ PTGES O14684 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ DLAT P10515 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
SCHEMBL13629034 0.86 ALOX5 (0.56) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL29420850 0.85 ALOX5 (0.80) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL29420849 0.85 ALOX5 (0.80) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL17584889 0.85 ALOX5 (0.80) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL9773779 0.84 ALOX5 (1.00) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL6125218 0.84 ALOX5 (1.00) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL144835 0.84 ALOX5 (1.00) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL6125220 0.84 ALOX5 (1.00) KDM4EMEN1KMT2AALOX5AKR1B10
Ammonia Solution, Strong SCHEMBL21582009 0.82 ALOX5 (0.98) KDM4EMEN1KMT2AALOX5AKR1B10
SCHEMBL5967762 0.82 ALOX5 (0.80) KDM4EMEN1KMT2AALOX5AKR1B10

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-20090286884-A1 Hops Beta-Acid Anti-Diabetic Composition Haas, John I. (US) 2009-11-19 — — US disclosed
US-20090286884-A1 Hops Beta-Acid Anti-Diabetic Composition Haas, John I. (US) 2009-11-19 — — 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-20090286884-A1 Hops Beta-Acid Anti-Diabetic Composition GYS2, HBB, HBG2 KDM4E 4830/4885MEN1 2631/4885KMT2A 4638/4885

“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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