SCHEMBL3229928

SCHEMBL3229928

CC(C)CCCC(C)CCOC(=O)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
EGFR P00533 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
BLM P54132 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ESR1 P03372 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL16377899 0.90 PKM (0.57) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL9787311 0.88 MAPK1 (0.59) PKMMAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL9858207 0.85 PKM (0.54) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL28519762 0.85 TDP1 (0.57) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL3295954 0.85 TDP1 (0.57) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL14273831 0.85 TDP1 (0.57) PKMMAPK1HSD17B10EGFRALDH1A1
Squalane SCHEMBL6425894 0.84 TDP1 (0.56) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL510609 0.84 MAPT (0.49) PKMMAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL6024231 0.83 SCN1A (0.58) PKMMAPK1HSD17B10EGFRALDH1A1
SCHEMBL15449675 0.83 SCN1A (0.58) PKMMAPK1HSD17B10EGFRALDH1A1

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 9 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
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
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
EP-1904487-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 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
WO-2006067392-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2006-06-29 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 PKM 3674/4885MAPK1 4184/4885HSD17B10 109/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 PKM 2114/4885MAPK1 4141/4885HSD17B10 396/4885

“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.