SCHEMBL5418271

SCHEMBL5418271

COc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.53
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LPAR5 Q9H1C0 2/20 0.46
LPAR3 Q9UBY5 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL5401485 0.93 LPAR1 (0.53) LPAR1POLBGAAMAPTLPAR5
SCHEMBL5399038 0.91 LPAR1 (0.50) LPAR1LPAR5LPAR3KMT2AMEN1
SCHEMBL6239120 0.91 LPAR1 (0.49) LPAR1LPAR5LPAR3KMT2AMEN1
SCHEMBL5418587 0.91 LPAR1 (0.58) LPAR1POLBGAAMAPTLPAR5
SCHEMBL5394549 0.90 LPAR1 (0.54) LPAR1LPAR5LPAR3KMT2AMEN1
SCHEMBL5392897 0.89 KMT2A (0.50) LPAR1GAALPAR5LPAR3KMT2A
SCHEMBL5406852 0.88 TDP1 (0.59) LPAR1POLBGAAMAPTLPAR5
SCHEMBL5395687 0.88 LPAR1 (0.50) LPAR1GAAKMT2AMEN1HDAC1
SCHEMBL5409482 0.87 LPAR1 (0.54) LPAR1KMT2AMEN1
SCHEMBL5397226 0.86 LPAR1 (0.47) LPAR1POLBGAAMAPTLPAR5

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 17/4885POLB 527/4885GAA 190/4885

“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.