SCHEMBL5014871

SCHEMBL5014871

COC1Oc2ccc(N)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 6/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 7/20 0.34
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MITF O75030 1/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 2/20 0.32
NR3C1 P04150 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL10054032 0.78 USP2 (0.37) GAAALDH1A1KMT2ACYP3A4USP2
SCHEMBL2268647 0.77 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL6782580 0.76 AHR (0.45) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL13862088 0.76 CA2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
Hydrochloric Acid SCHEMBL20502990 0.75 MAPT (0.42) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL6619829 0.73 CA2 (0.36) MAPTALDH1A1NR3C1NPC1
SCHEMBL7709944 0.73 CYP3A4 (0.33) KDM4EALDH1A1CYP3A4
SCHEMBL1168265 0.73 GAA (0.40) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL5285093 0.72 MAPT (0.39) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL27682747 0.72 MAPT (0.39) CHRNB4CHRNA3CHRNB2CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329287-B2 Oxidation dye composition for keratin fibers, comprising at least one oxidation dye, at least one associative polymer, at least one nonionic cellulose-based compound not comprising a C8-C30 fatty chain, and at least one cationic polymer with a charge density of greater than 1 meq/g and not comprising a C8-C30 fatty chain L'OREAL S.A. (FR) 2008-02-12 US disclosed
US-20040163186-A1 Oxidation dye composition for keratin fibers, comprising at least one oxidation dye, at least one associative polymer, at least one nonionic cellulose-based compound not comprising a C8-C30 fatty chain, and at least one cationic polymer with a charge density of greater than 1 meq/g and not comprising a C8-C30 fatty chain L'OREAL S.A. (FR) 2004-08-26 US disclosed
US-6599328-B1 Ready-to-use composition for oxidation dyeing of keratin fibers comprising oxidation dye, 2-electron or 4-electron oxidoreductase enzyme, and chitosan chosen from salified or chemically modified chitosan L'OREAL S.A. (FR) 2003-07-29 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-20040163186-A1 Oxidation dye composition for keratin fibers, comprising at least one oxidation dye, at least one associative polymer, at least one nonionic cellulose-based compound not comprising a C8-C30 fatty chain, and at least one cationic polymer with a charge density of greater than 1 meq/g and not comprising a C8-C30 fatty chain KRT18, ACAD10, SLC25A20 CHRNB4 1503/4885CHRNA3 2040/4885CHRNB2 2469/4885

“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.