SCHEMBL6744189

SCHEMBL6744189

CCCC(=O)c1cccc(OC)c1Br

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
HDAC1 Q13547 1/20 0.48
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 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
SCHEMBL27624489 0.87 HMGCR (0.49) HDAC8HDAC1TAS1R3TAS1R1
SCHEMBL7783864 0.83 HPGDS (0.55) HDAC8HDAC1
SCHEMBL30660944 0.83 CTNNB1 (0.61) HDAC8HDAC1CTNNB1WNT3A
SCHEMBL5307918 0.83 CTNNB1 (0.61) HDAC8HDAC1CTNNB1WNT3A
SCHEMBL6223780 0.82 HPGD (0.51) CTNNB1WNT3A
SCHEMBL12203749 0.81 CTNNB1 (0.46) HDAC8HDAC1CTNNB1WNT3AATP4A
SCHEMBL28579284 0.79 CA12 (0.61) HDAC8HDAC1CTNNB1WNT3A
SCHEMBL13265172 0.78 CTNNB1 (0.44) HDAC8HDAC1CTNNB1WNT3AATP4A
SCHEMBL6744965 0.78 F2R (0.42) CTNNB1WNT3A
SCHEMBL1287120 0.78 LMNA (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 HDAC8 856/4885HDAC1 918/4885CTNNB1 1740/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR HDAC8 1201/4885HDAC1 1092/4885CTNNB1 892/4885

“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.