SCHEMBL14067916

SCHEMBL14067916

CN(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ABCC4 O15439 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPT P10636 5/20 0.46
AGTR1 P30556 1/20 0.46
SLC6A9 P48067 1/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
FFAR1 O14842 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL196635 0.88 KMT2A (0.49) ALDH1A1KDM4EUSP2HTTTSHR
Hydrochloric Acid SCHEMBL2238154 0.86 KMT2A (0.47) ALDH1A1HTTTSHRSMN1; SMN2RAB9A
Ethane SCHEMBL7405342 0.86 KMT2A (0.47) ALDH1A1HTTTSHRSMN1; SMN2RAB9A
SCHEMBL11973371 0.86 KMT2A (0.47) ALDH1A1HTTTSHRSMN1; SMN2RAB9A
SCHEMBL11973878 0.86 KMT2A (0.47) ALDH1A1HTTTSHRSMN1; SMN2RAB9A
SCHEMBL9456006 0.84 FFAR1 (0.46) ALDH1A1KDM4EUSP2SLC6A9FFAR1
SCHEMBL28709069 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2TSHRMAPT
SCHEMBL20120105 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2MAPTAGTR1
SCHEMBL3348892 0.80 KEAP1 (0.54) ALDH1A1GAATSHRSMN1; SMN2RAB9A
SCHEMBL13644999 0.80 LMNA (0.50) ALDH1A1KDM4EUSP2LMNAHTT

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-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 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-20080227858-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP2 ALDH1A1 3221/4885KDM4E 1307/4885USP2 2649/4885

“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.