SCHEMBL6697927

SCHEMBL6697927

Cc1cc(N2CCCC2C(O)O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.41
GAA P10253 2/20 0.41
AR P10275 1/20 0.39
THRB P10828 1/20 0.38
NR1I2 O75469 4/20 0.36
SMARCA2 P51531 4/20 0.36
SMARCA4 P51532 4/20 0.36
PBRM1 Q86U86 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
LGMN Q99538 1/20 0.32
NR1H2 P55055 1/20 0.31
IP6K1 Q92551 1/20 0.31
FFAR1 O14842 2/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL15148613 0.79 RAD52 (0.45) RAD52GAAARTHRBNR1I2
SCHEMBL6505403 0.77 GAA (0.43) RAD52GAATHRBMAPTKDM4E
SCHEMBL6256196 0.76 RAD52 (0.40) RAD52GAAARTHRBNR1I2
SCHEMBL6290240 0.74 GAA (0.43) RAD52GAAARTHRBNR1I2
SCHEMBL13638851 0.72 ADORA2A (0.45) RAD52GAAFFAR1
SCHEMBL6385420 0.72 GAA (0.44) RAD52GAAARTHRBMAPT
SCHEMBL6254071 0.72 GAA (0.55) RAD52GAATHRBSMARCA2SMARCA4
SCHEMBL2926286 0.71 RAD52 (0.42) RAD52GAATHRBNR1I2SMARCA2
SCHEMBL27695209 0.70 RAD52 (0.43) RAD52GAATHRBMAPTKDM4E
SCHEMBL6505168 0.70 RAD52 (0.41) RAD52GAATHRBNR1I2SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040064902-A1 Oxidatiton dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 and 5 L'OREAL S.A. (FR) 2004-04-08 US claimed
EP-1341507-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 2 AND 5 L'OREAL (FR) 2003-09-10 EP claimed
WO-2002045668-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 2 AND 5 L'OREAL (FR) 2002-06-13 WO claimed
US-20040064902-A1 Oxidatiton dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 and 5 L'OREAL S.A. (FR) 2004-04-08 US disclosed
EP-1341507-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 2 AND 5 L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045668-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 2 AND 5 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-20040064902-A1 Oxidatiton dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 and 5 COX5B, KRT18, PYCR1 RAD52 631/4885GAA 4466/4885AR 566/4885

“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.