SCHEMBL17739703

SCHEMBL17739703

C=C(C)C1Cc2cc(/C(C)=N/C)c(O)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL17739700 0.89 KDM4E (0.48) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL17728865 0.83 ALDH1A1 (0.53) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL17739701 0.83 ALDH1A1 (0.53) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL1448346 0.65 ESR1 (0.35) KDM4EALDH1A1HPGDRECQL
SCHEMBL1448345 0.65 ESR1 (0.35) KDM4EALDH1A1HPGDRECQL
SCHEMBL1448342 0.65 ESR1 (0.35) KDM4EALDH1A1HPGDRECQL
Viscidone SCHEMBL6266796 0.65 POLB (0.63) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL15996380 0.64 AOC2 (0.50) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL8010269 0.64 KDM4E (0.48) KDM4EALDH1A1LMNAGAAHPGD
Tremetone SCHEMBL4743839 0.64 POLB (0.75) KDM4EALDH1A1LMNAGAAHPGD

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-9663453-B2 Metabolites and oximes with vasodilator and hypotensive activity UNIVERSIDAD DE ANTOFAGASTA (CL) 2017-05-30 — — US disclosed
US-20160130219-A1 METABOLITES AND OXIMES WITH VASODILATOR AND HYPOTENSIVE ACTIVITY UNIVERSIDAD DE ANTOFAGASTA (CL) 2016-05-12 — — 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-20160130219-A1 METABOLITES AND OXIMES WITH VASODILATOR AND HYPOTENSIVE ACTIVITY PTGIS, ACHE, VASP KDM4E 1261/4885ALDH1A1 4052/4885LMNA 1491/4885

“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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