SCHEMBL3223605

SCHEMBL3223605

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3O)nc(-c3ccnn3C)n2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3209071 0.95 CYP1A2 (0.39) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7217044 0.87 LMNA (0.42) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL3230360 0.86 HSP90AA1 (0.36) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL268986 0.84 LMNA (0.36) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL28638598 0.84 LMNA (0.40) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL13492209 0.82 LMNA (0.35) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL3363792 0.82 CYP3A4 (0.36) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL24431768 0.82 ALDH1A1 (0.39) CYP3A4LMNAALDH1A1MAPK1TSHR
SCHEMBL17831410 0.82 LMNA (0.39) CYP3A4CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL7097913 0.82 LMNA (0.39) CYP3A4CYP1A2CYP19A1CYP2C9CYP2C19

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 12 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
EP-1833818-A1 6-(1H-PYRAZOL-5-YL)-1,3,5-TRIAZINE DERIVATIVES AND THEIR USE AS PROTECTIVE AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-09-19 EP claimed
WO-2006064366-A1 6- (1H-PYRAZOL-5-YL)-1, 3, 5-TRIAZINE DERIVATIVES AND THEIR USE AS PROTECTIVE AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-06-22 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
EP-1833818-A1 6-(1H-PYRAZOL-5-YL)-1,3,5-TRIAZINE DERIVATIVES AND THEIR USE AS PROTECTIVE AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-09-19 EP disclosed
WO-2006064366-A1 6- (1H-PYRAZOL-5-YL)-1, 3, 5-TRIAZINE DERIVATIVES AND THEIR USE AS PROTECTIVE AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-06-22 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 CYP3A4 202/4885CYP1A2 21/4885CYP2D6 522/4885

“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.