SCHEMBL3136256

SCHEMBL3136256

CC(C)(C(=O)O)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PDE2A O00408 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL11784286 0.84 CA2 (0.34) KMT2AMAPTCA2HDAC3HDAC4
SCHEMBL2967568 0.83 CA1 (0.40) KMT2AMAPTCA1CA2CA5A
SCHEMBL1828511 0.83 PDK1 (0.41) KMT2AMAPTCA1CA2CA5A
SCHEMBL7768184 0.82 KMT2A (0.53) KMT2AMAPTCA1CA2CA5A
SCHEMBL5322102 0.81 PRNP (0.37) KMT2AMAPTCA1CA2CA9
SCHEMBL31189227 0.81 PRNP (0.37) KMT2AMAPTCA1CA2CA9
SCHEMBL31619483 0.80 CA1 (0.46) KMT2AMAPTCA1CA2CA5A
SCHEMBL22636306 0.80 CYP1A2 (0.43) KMT2AMAPTCA1CA2CA5A
SCHEMBL548019 0.79 PLCG1 (0.49) KMT2AMAPTCA1CA2CA5A
SCHEMBL5199900 0.77 CYP2C9 (0.50) KMT2AMAPTCA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532644-A1 Preparation of 2-(4-bromophenyl)-2-methylpropanoic acid Divi's Laboratories Limited (IN) 2012-12-12 EP disclosed
EP-2532644-A1 Preparation of 2-(4-bromophenyl)-2-methylpropanoic acid Divi's Laboratories Limited (IN) 2012-12-12 EP disclosed
US-20120309973-A1 PREPARATION OF 2-(4-BROMOPHENYL)-2-METHYLPROPANOIC ACID DIVI'S LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
US-20120309973-A1 PREPARATION OF 2-(4-BROMOPHENYL)-2-METHYLPROPANOIC ACID DIVI'S LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
US-20120309973-A1 PREPARATION OF 2-(4-BROMOPHENYL)-2-METHYLPROPANOIC ACID DIVI'S LABORATORIES LIMITED (IN) 2012-12-06 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
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
CN-87103809-A The method for making of naphthane and indan derivative 1987-12-02 CN 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-20120309973-A1 PREPARATION OF 2-(4-BROMOPHENYL)-2-METHYLPROPANOIC ACID HRH2, NPFFR2, GABRA6 KMT2A 141/4885MAPT 1798/4885CA1 1754/4885

“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.