SCHEMBL6027607

SCHEMBL6027607

Cc1ccc(-c2ccc(C3(c4cccc([N+](=O)[O-])c4)OC(=O)C(O)=C3O)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
MAPT P10636 7/20 0.39
PTPN1 P18031 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 2/20 0.36

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
SCHEMBL7968549 0.91 MAPT (0.41) NQO2MAPTPTPN1ARALDH1A1
SCHEMBL6027636 0.83 ALDH1A1 (0.36) NQO2MAPTTDP1ALDH1A1KDM4E
SCHEMBL7971494 0.80 ALDH1A1 (0.33) MAPTTDP1ARALDH1A1KDM4E
SCHEMBL7968977 0.78 MAOB (0.36) MAPTCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7968407 0.75 POLB (0.46) MAPTTDP1ARALDH1A1KDM4E
SCHEMBL6027883 0.74 KDM4E (0.34) NQO2MAPTTDP1ALDH1A1KDM4E
SCHEMBL6732583 0.72 MAPT (0.64) NQO2MAPTTDP1ALDH1A1KDM4E
SCHEMBL7965276 0.71 HSPB1 (0.40) MAPTTDP1ARALDH1A1GAA
SCHEMBL7968467 0.70 MAPT (0.39) MAPTARALDH1A1GAANPC1
SCHEMBL7971826 0.69 P2RX3 (0.32) MAPTALDH1A1KDM4ENPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US disclosed
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 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 (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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 NQO2 301/4885MAPT 1510/4885PTPN1 77/4885

“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.