SCHEMBL5402706

SCHEMBL5402706

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPGD P15428 4/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.40
RCE1 Q9Y256 1/20 0.40
KCNA3 P22001 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 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
SCHEMBL5394534 0.93 MAPT (0.43) MAPTHPGDKMT2AKDM4EKCNA3
SCHEMBL5392869 0.91 ALDH1A1 (0.46) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL5418554 0.90 TAS1R3 (0.46) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL5397621 0.89 HPGD (0.57) HPGDKMT2AKDM4EALDH1A1RCE1
SCHEMBL5402802 0.87 MAPT (0.48) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL5406064 0.86 TAAR1 (0.53) MAPTHPGDKMT2AALDH1A1CDK4
SCHEMBL5407111 0.86 PLAAT3 (0.43) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL5394527 0.86 HPGD (0.50) HPGDKMT2AKDM4EALDH1A1RCE1
SCHEMBL5406253 0.85 ALDH1A1 (0.49) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL5395882 0.85 HPGD (0.49) MAPTHPGDKMT2AKDM4EALDH1A1

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 MAPT 457/4885HPGD 1078/4885KMT2A 2451/4885

“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.