SCHEMBL5089369

SCHEMBL5089369

CCOC(=O)Cc1cccc(NCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ADRB2 P07550 1/20 0.42
ADRB3 P13945 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39

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
SCHEMBL2636349 0.81 HTT (0.45) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL2082850 0.80 HTT (0.44) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL12440456 0.79 MEN1 (0.54) MAPTHTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2082848 0.79 MAPT (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL68412 0.79 L3MBTL1 (0.50) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL6368466 0.78 FPR3 (0.44) MAPTHTTMEN1KMT2AEGFR
SCHEMBL6366473 0.78 DHODH (0.44) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL5092043 0.77 MAPT (0.42) MAPTHTTMEN1KMT2AEGFR
SCHEMBL12440452 0.77 POLB (0.50) ALDH1A1SMN1; SMN2LMNA
SCHEMBL9268108 0.77 SLC7A5 (0.56) MAPTADRB2ADRB3HTTKMT2A

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 MAPT 1510/4885ADRB2 557/4885ADRB3 508/4885

“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.