SCHEMBL3976745

SCHEMBL3976745

CCCC(N)(CC)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
FDPS P14324 1/20 0.35
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ALOX15 P16050 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
SCHEMBL3971250 0.88 FDPS (0.39) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL5394315 0.86 MEN1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3809015 0.72 ALDH1A1 (0.40) ALDH1A1MEN1THRBKMT2AFDPS
SCHEMBL6729367 0.70 ALDH1A1 (0.59) ALDH1A1MEN1THRBKMT2AFDPS
SCHEMBL5391004 0.70
SCHEMBL28399096 0.70 ALDH1A1 (0.43) ALDH1A1MEN1THRBKMT2AFDPS
SCHEMBL5403337 0.70 SMN1; SMN2 (0.50) ALDH1A1CYP1A2ARG1ARG2LMNA
SCHEMBL10937553 0.69 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL28019265 0.68 MEN1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL11348309 0.68 ALDH1A1 (0.34) ALDH1A1FDPS

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-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 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 ALDH1A1 589/4885MEN1 815/4885CYP1A2 230/4885

“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.