SCHEMBL3229961

SCHEMBL3229961

Cn1nccc1-c1nc(-c2ccc(O)cc2O)nc(-c2ccc(O)cc2O)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 4/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
TYR P14679 1/20 0.37
NT5E P21589 3/20 0.37
COMT P21964 1/20 0.37
ESR2 Q92731 3/20 0.36
LATS1 O95835 2/20 0.36
LATS2 Q9NRM7 1/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5244581 0.88 ALDH1A1 (0.40) ALDH1A1MAPTESR1PDK1PDK2
SCHEMBL3361268 0.79 MAPT (0.41) ALDH1A1MAPTESR1NT5ECOMT
SCHEMBL547889 0.77 NPC1 (0.52) ALDH1A1MAPTESR1TYRESR2
SCHEMBL29625130 0.77 NPC1 (0.52) ALDH1A1MAPTESR1TYRESR2
SCHEMBL3218439 0.77 HSP90AA1 (0.44) ALDH1A1MAPTESR1TYRESR2
SCHEMBL13283098 0.76 PKMYT1 (0.38) ALDH1A1MAPTESR1NT5ECOMT
Water SCHEMBL8683475 0.75 NPC1 (0.50) ALDH1A1MAPTESR1TYRESR2
SCHEMBL4023346 0.75 ESR1 (0.41) ALDH1A1MAPTESR1TYRESR2
SCHEMBL3230383 0.73 ALDH1A1 (0.42) ALDH1A1MAPTESR1PDK1PDK2
SCHEMBL14070316 0.72 HSD17B10 (0.50) ALDH1A1MAPTESR1TYRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 ALDH1A1 28/4885MAPT 922/4885ESR1 1093/4885

“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.