SCHEMBL5100328

SCHEMBL5100328

CCOC(=O)Cc1ccc(OC)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
ALDH1A1 P00352 6/20 0.51
GFER P55789 1/20 0.51
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
DRD2 P14416 1/20 0.46
CYP3A4 P08684 2/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.44

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
Hydrochloric Acid SCHEMBL6986916 0.98 GAA (0.54) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL13594698 0.88 ALDH1A1 (0.56) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL18159276 0.88 GAA (0.49) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL7247237 0.86 ALDH1A1 (0.69) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL908271 0.86 ABL1 (0.59) GAAALDH1A1LMNAL3MBTL1HTT
Hydrochloric Acid SCHEMBL6983661 0.84 ALDH1A1 (0.67) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL12191688 0.84 L3MBTL1 (0.50) GAAALDH1A1L3MBTL1DRD2ABL1
Hydrochloric Acid SCHEMBL6986396 0.84 CYP4F2 (0.54) GAAALDH1A1LMNAL3MBTL1HTT
SCHEMBL118588 0.84 ALDH1A1 (0.53) GAAALDH1A1GFERLMNAL3MBTL1
SCHEMBL31287243 0.84 ALDH1A1 (0.53) GAAALDH1A1GFERLMNAL3MBTL1

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-7335673-B2 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1325903-A1 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 EP 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-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage VCAM1, ICAM1, PTK2 GAA 1941/4885ALDH1A1 194/4885GFER 3709/4885

“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.