SCHEMBL5397226

SCHEMBL5397226

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.47
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LPAR5 Q9H1C0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
HSD17B10 Q99714 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 0.92 TSHR (0.47) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5411971 0.92 MEN1 (0.47) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5408834 0.91 LPAR1 (0.48) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5394500 0.90 MEN1 (0.46) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5401622 0.90 LPAR1 (0.53) LPAR1MEN1KMT2APOLBGAA
SCHEMBL4928723 0.88 MEN1 (0.43) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5401485 0.87 LPAR1 (0.53) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5418587 0.87 LPAR1 (0.58) LPAR1TSHRTDP1MEN1KMT2A
SCHEMBL5409482 0.86 LPAR1 (0.54) LPAR1MEN1KMT2A
SCHEMBL5418271 0.86 LPAR1 (0.53) LPAR1TSHRTDP1MEN1KMT2A

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 LPAR1 17/4885TSHR 3382/4885TDP1 1939/4885

“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.