SCHEMBL5411971

SCHEMBL5411971

CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cc(OC)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.44
LPAR1 Q92633 7/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
PPARG P37231 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
SCHEMBL5399062 0.93 TSHR (0.47) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5408834 0.92 LPAR1 (0.48) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5397226 0.92 LPAR1 (0.47) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5394500 0.91 MEN1 (0.46) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5403150 0.90 LPAR1 (0.49) MEN1KMT2ATSHRLPAR1MAPK1
SCHEMBL4928723 0.89 MEN1 (0.43) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5394093 0.87 TP53 (0.51) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5395922 0.87 TDP1 (0.55) MEN1KMT2ATSHRTDP1LPAR1
SCHEMBL5403729 0.86 RAB9A (0.52) MEN1KMT2ATSHRTP53HSD17B10
SCHEMBL5412254 0.86 LPAR1 (0.51) MEN1KMT2ATSHRLPAR1MAPK1

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB MEN1 891/4885KMT2A 2451/4885TSHR 3382/4885

“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.