SCHEMBL7577681

SCHEMBL7577681

O=C1C=Cc2ccc3oc4c5ccccc5ccc4c3c2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
ARSA P15289 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25C P30307 1/20 0.49
KMT2A Q03164 3/20 0.40
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
CYP1A2 P05177 4/20 0.39
TP53 P04637 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL1674893 0.79 TDP1 (0.43) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL380656 0.77 CES1 (1.00) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL29460197 0.76 CES1 (0.83) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL442615 0.74 L3MBTL1 (0.50) ARSACDC25ACDC25CKMT2AIKBKB
SCHEMBL29612101 0.74 L3MBTL1 (0.50) ARSACDC25ACDC25CKMT2AIKBKB
Furan SCHEMBL3095660 0.73 CES1 (0.81) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL5716919 0.70 CES1 (0.79) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL22609991 0.70 CES1 (0.81) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL23043820 0.70 ALDH1A1 (0.69) CES1ARSACDC25ACDC25CKMT2A
SCHEMBL13789696 0.69 L3MBTL1 (0.52) KMT2AALDH1A1HPGDCYP1A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020182232-A9 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (I) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof L'OREAL S.A. (FR) 2002-12-05 US disclosed
US-20020012683-A1 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (1) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof HENRION JEAN-CHRISTOPHE (FR) 2002-01-31 US disclosed
JP-2000026447-A NEW DINAPHTHOFURANQUINONE DERIVATIVE AND ANTIPRURITIC AGENT CONTAINING THE SAME KATO TOYOYA 2000-01-25 JP disclosed
US-4539230-A COATING WALLS WITH A CHELATE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1985-09-03 US disclosed
US-4104064-A Photoelectrophoretic imaging method employing dinaphtho-furan-dione pigments XEROX CORPORATION (US) 1978-08-01 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 (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-20020012683-A1 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (1) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof CYP1B1, NDUFA2, TYR CES1 1683/4885ARSA 129/4885CDC25A 755/4885
US-20020182232-A9 Cosmetic composition comprising at least one ingredient chosen from compounds of formula (I) and salts thereof, use thereof as colouring agent, and novel compounds of formulae (IIa), (IIIa), (IVa), (Va), and (VIa), and salts thereof TYR, SDHA, NDUFA2 CES1 2347/4885ARSA 114/4885CDC25A 976/4885

“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.