SCHEMBL15079377

SCHEMBL15079377

O=[N+]([O-])c1ccc(OCCc2ccccc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KCNH2 Q12809 4/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL14328006 0.82 DRD2 (0.52) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL4611909 0.80 DRD2 (0.53) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL29349920 0.80 DRD2 (0.53) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL16368719 0.79 CYP4F2 (0.51) DRD2DRD4DRD3LMNA
SCHEMBL9854724 0.79 KCNA3 (0.52) DRD2DRD4DRD3ALDH1A1PKM
SCHEMBL11292187 0.78 KCNH2 (0.61) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL9854722 0.78 MPO (0.51) MAPTGAALMNA
SCHEMBL5286113 0.77 DRD2 (0.73) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL6228523 0.77 MAPT (0.65) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL22529979 0.77 MAPT (0.53) DRD2DRD4DRD3MAPTALDH1A1

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-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2015-01-01 US disclosed
US-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2015-01-01 US disclosed
WO-2013093320-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2013-06-27 WO 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-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS ARG1, TYR, NOS1 DRD2 1253/4885DRD4 762/4885DRD3 789/4885

“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.