SCHEMBL5894087

SCHEMBL5894087

[O-][n+]1cc2ccccc2c[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ALOX12 P18054 1/20 0.44
ATM Q13315 1/20 0.43
ACHE P22303 11/20 0.37
BCHE P06276 10/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Naphthalene SCHEMBL1332240 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL1293896 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL1330659 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL8953 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL1331142 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL29358073 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL30685720 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL8613802 0.64 CYP2A6 (1.00) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL1218988 0.60 CYP2A6 (0.89) CYP2A6ALOX12ATMACHEALDH1A1
Naphthalene SCHEMBL1901078 0.60 CYP2A6 (0.89) CYP2A6ALOX12ATMACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-7459470-B2 N-oxide anthranylamide derivatives and their use as medicaments SCHERING AG (DE) 2008-12-02 US disclosed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed
EP-0505198-B1 A method of enhancing a luminescent reaction, luminometric assay and kits for use in the same SANYO CHEMICAL IND LTD (JP) 1997-01-02 EP disclosed
US-5424194-A Chemiluminescence SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 US disclosed
EP-0505198-A1 A method of enhancing a luminescent reaction, luminometric assay and kits for use in the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-23 EP 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 CYP2A6 245/4885ALOX12 1278/4885ATM 3130/4885

“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.