SCHEMBL4450255

SCHEMBL4450255

COc1ccc(CCC(=O)Cl)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
CYP19A1 P11511 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL3683765 0.86 FFAR4 (0.53) ALDH1A1HDAC1HDAC6KDM4ETDP1
SCHEMBL7848228 0.86 KDM4E (0.56) ALDH1A1HDAC1HDAC6KDM4ETDP1
SCHEMBL1304558 0.85 ATM (0.56) ALDH1A1KDM4EALOX5OR51E2CYP19A1
SCHEMBL3686214 0.84 HDAC1 (0.51) ALDH1A1HDAC1HDAC6KDM4ETDP1
SCHEMBL1462899 0.84 HDAC1 (0.57) ALDH1A1HDAC1HDAC6KDM4ETDP1
SCHEMBL11998980 0.83 HPGD (0.53) ALDH1A1ALOX5OR51E2CYP19A1MEN1
SCHEMBL4450867 0.81 CYP4F2 (0.55) ALDH1A1HDAC1HDAC6KDM4ETDP1
SCHEMBL30110359 0.81 HRH3 (0.41) TDP1
SCHEMBL28633027 0.81 HRH3 (0.41) TDP1
SCHEMBL3126685 0.80 ALDH1A1 (0.49) ALDH1A1HDAC1HDAC6KDM4ETDP1

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
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 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 (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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 ALDH1A1 2283/4885HDAC1 1442/4885HDAC6 3845/4885

“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.