SCHEMBL15726644

SCHEMBL15726644

C[C@]12C(=O)O[C@H](O)[C@@H]1[C@@H]1C=CC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL15726611 1.00 KDM4E (0.37) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL15709262 1.00 KDM4E (0.37) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL15726589 0.81 KDM4E (0.35) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL31490487 0.68 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL195658 0.68 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL3112271 0.68 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL10338131 0.68 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL15726659 0.68 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL4820632 0.68 KDM4E (0.35) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL14316959 0.67 KDM4E (0.36) KDM4ETDP1ALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142170-A1 COMPOSITION AND METHOD FOR INFLUENCING ENERGY METABOLISM AND TREATING METABOLIC AND OTHER DISORDERS SIRTUIN VALLEY OY (FI) 2014-05-22 — — 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-20140142170-A1 COMPOSITION AND METHOD FOR INFLUENCING ENERGY METABOLISM AND TREATING METABOLIC AND OTHER DISORDERS SIRT4, SIRT1, PFKL KDM4E 2822/4885TDP1 4092/4885ALDH1A1 1767/4885

“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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