SCHEMBL3218481

SCHEMBL3218481

COc1cc[c]c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 4/20 0.62
TDP1 Q9NUW8 2/20 0.62
USP2 O75604 2/20 0.62
DUSP3 P51452 1/20 0.62
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 4/20 0.53
POLB P06746 3/20 0.53
ADORA2A P29274 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
FGB P02675 1/20 0.53
THRB P10828 1/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
NPC1 O15118 2/20 0.49

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
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.78 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8655894 0.78 EGFR (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8658090 0.77 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16318821 0.74 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3983265 0.74 ADORA2A (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7535023 0.73 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL612831 0.73 MAPT (0.74) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9264626 0.73 MAPT (0.74) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL56824 0.71 CDC25B (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL31435387 0.71 MAPT (0.70) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP claimed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 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
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP disclosed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 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 (2 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-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ERCC4, XPA, CYP51A1 MAPT 3929/4885MEN1 2046/4885KMT2A 4731/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 MAPT 922/4885MEN1 2776/4885KMT2A 3114/4885

“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.