SCHEMBL3863528

SCHEMBL3863528

Cc1cc(N)ccc1NCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.47
AR P10275 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAD52 P43351 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 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
Hydrochloric Acid SCHEMBL3860889 0.98 VDR (0.46) VDRARSIGMAR1LMNAMAPT
SCHEMBL4863699 0.87 VDR (0.46) VDRARSIGMAR1LMNAMAPT
SCHEMBL15201857 0.84 VDR (0.43) VDRARSIGMAR1LMNAMAPT
SCHEMBL4853206 0.83 SIGMAR1 (0.46) VDRSIGMAR1LMNAMAPTCYP1A2
SCHEMBL4956493 0.83 MAPT (0.49) VDRARSIGMAR1LMNAMAPT
SCHEMBL3919119 0.82 ALDH1A1 (0.41) VDRARLMNAMAPTCYP1A2
SCHEMBL16715418 0.82 ADRB2 (0.43) VDRARSIGMAR1LMNAMAPT
SCHEMBL6571001 0.82 LMNA (0.41) VDRARSIGMAR1LMNAMAPT
SCHEMBL6571431 0.81 AR (0.36) VDRARMAPTCYP1A2ALDH1A1
SCHEMBL8858172 0.81 VDR (0.47) VDRARLMNAMAPTALDH1A1

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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 EP claimed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP VDR 2694/4885AR 677/4885SIGMAR1 4202/4885

“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.