SCHEMBL6696966

SCHEMBL6696966

O=C(O)C1C(O)CCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GBA1 P04062 1/20 0.43
SLC18A3 Q16572 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
AKR1C3 P42330 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14497383 0.79 NOTUM (0.46) MAPTALDH1A1SLC18A3MEN1KMT2A
SCHEMBL2899067 0.79 NOTUM (0.46) MAPTALDH1A1SLC18A3MEN1KMT2A
SCHEMBL6696588 0.78 GBA1 (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3337833 0.78 GBA1 (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL6698454 0.77 GFER (0.38) MAPTPOLBALDH1A1GBA1SLC18A3
SCHEMBL3552397 0.77 MAPT (0.56) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3552399 0.77 MAPT (0.56) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL9660476 0.77 MAPT (0.56) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL38659875 0.75 MAPT (0.51) MAPTPOLBCYP2C9CYP2C19ALDH1A1
Carbamic Acid SCHEMBL14715641 0.75 MAPT (0.47) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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-20040083559-A1 Dyeing composition based on 1-(4-aminophenyl)pyrrolidines substituted at least in positions 2 and 3 L'OREAL S.A. (FR) 2004-05-06 US disclosed
EP-1341508-A1 DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED AT LEAST IN POSITIONS 2 AND 3 L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045669-A1 DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED AT LEAST IN POSITIONS 2 AND 3 L'OREAL (FR) 2002-06-13 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-20040083559-A1 Dyeing composition based on 1-(4-aminophenyl)pyrrolidines substituted at least in positions 2 and 3 KRT18, PYCR1, COX5A MAPT 824/4885POLB 188/4885CYP2C9 613/4885

“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.