SCHEMBL548244

SCHEMBL548244

CC1(C(=O)O)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
GRM1 Q13255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
RARB P10826 9/20 0.44
RARG P13631 9/20 0.44
RARA P10276 7/20 0.44
CYP26A1 O43174 3/20 0.44
CYP26B1 Q9NR63 1/20 0.44
RXRA P19793 7/20 0.44
RXRB P28702 7/20 0.44
RXRG P48443 6/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL9848328 0.79 ALDH1A1 (0.49) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL12619017 0.77 ALDH1A1 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3136514 0.74 ALDH1A1 (0.40) ALDH1A1BLMTDP1
SCHEMBL17551922 0.71 KDM4E (0.60) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14173250 0.71 ALDH1A1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2815307 0.71 ALDH1A1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL18213884 0.71 KDM4E (0.60) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8458491 0.70 ALDH1A1 (0.65) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7271322 0.70 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8375020 0.70 RXRA (0.61) KDM4EMAPTALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288581-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-16 US disclosed
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-05-10 US disclosed
US-8110701-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-07 US disclosed
WO-2010007253-A2 NOVEL METHOD FOR PREPARING FUNCTIONALIZED BENZOCYCLOBUTENES, AND USE IN THE SYNTHESIS OF IVABRADINE AND OF ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2010-01-21 WO disclosed
US-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-01-21 US disclosed
EP-2145871-A1 New method for preparing functionalised benzocyclobutenes and its application to the synthesis of ivabradine and its addition salts with a pharmaceutically acceptable acid. Les Laboratoires Servier (FR) 2010-01-20 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 (2 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-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid BDKRB2, HRH2, C1R KDM4E 4025/4885MAPT 4869/4885ALDH1A1 652/4885
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2B6, CYP4F8 KDM4E 1615/4885MAPT 4825/4885ALDH1A1 282/4885

“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.