SCHEMBL547428

SCHEMBL547428

COC(=O)C1(C)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIN1 Q13526 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1471124 0.83 PIN1 (0.53) MEN1KMT2APIN1ALDH1A1SMN1; SMN2
SCHEMBL10932401 0.80 KDM1A (0.47) MEN1KMT2APIN1SMN1; SMN2LMNA
SCHEMBL29724249 0.80 KDM1A (0.47) MEN1KMT2APIN1SMN1; SMN2LMNA
SCHEMBL3136514 0.79 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL29597476 0.78 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1786991 0.78 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL462893 0.78 CYP3A4 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3123948 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3368929 0.76 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1470334 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHTT

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 4 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
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

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 MEN1 2543/4885KMT2A 4156/4885PIN1 2553/4885
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 MEN1 1819/4885KMT2A 2692/4885PIN1 947/4885

“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.