SCHEMBL7514796

SCHEMBL7514796

Cc1ccc(C(CCO)NCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC2A1 P11166 1/20 0.36
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL95419 0.87 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL15787291 0.81 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL15787637 0.81 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL11390488 0.73 SPHK1 (0.38) GAASLC2A1UTS2R
SCHEMBL19954198 0.73 TRPA1 (0.43) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9728886 0.73 CHRNA7 (0.35) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL14183097 0.71 CHRNA7 (0.39) ALDH1A1LMNASMN1; SMN2CNR1CNR2
P-Xylene SCHEMBL9064050 0.71 CHRNA7 (0.39) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL15787647 0.70 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL15787286 0.70 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 ALDH1A1 3024/4885LMNA 3266/4885SMN1; SMN2 3424/4885

“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.