SCHEMBL3971250

SCHEMBL3971250

CCCCC(N)(CC)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMPD1 P17405 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
EPHX1 P07099 1/20 0.33
AKR1B1 P15121 1/20 0.32
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL3976745 0.88 ALDH1A1 (0.36) FDPSALOX15ALDH1A1MEN1KMT2A
SCHEMBL5394315 0.83 MEN1 (0.37) ALOX15ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7564690 0.75 MEN1 (0.36) ALOX15ALDH1A1MEN1KMT2AMAPT
SCHEMBL27312162 0.72 ALDH1A1 (0.50) ALOX15ALDH1A1MEN1KMT2AMAPT
SCHEMBL25375302 0.71 FDPS (0.38) FDPSALOX15ALDH1A1MEN1KMT2A
SCHEMBL25375297 0.71 FDPS (0.38) FDPSALOX15ALDH1A1MEN1KMT2A
SCHEMBL25378459 0.71 ALDH1A1 (0.36) FDPSALOX15ALDH1A1MEN1KMT2A
SCHEMBL25378452 0.71 ALDH1A1 (0.36) FDPSALOX15ALDH1A1MEN1KMT2A
SCHEMBL3646092 0.69 MEN1 (0.46) ALOX15ALDH1A1MEN1KMT2AMAPT
Bicarbonate SCHEMBL4357070 0.69 FDPS (0.48) FDPSALOX15ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE FDPS 2363/4885ALOX15 2901/4885ALDH1A1 589/4885

“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.