SCHEMBL6742344

SCHEMBL6742344

CCC[C@@H](O)c1cccc(OC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6745045 1.00 TAS1R3 (0.40) TAS1R3TAS1R1TP53PPARGALDH1A1
SCHEMBL6744824 0.87 BCHE (0.41) TP53ALDH1A1MAPTADRA2AADRA1A
SCHEMBL30669716 0.84 PPARG (0.49) TP53PPARGSMN1; SMN2TSHR
SCHEMBL6055320 0.84 PPARG (0.49) TP53PPARGSMN1; SMN2TSHR
Ammonia Solution, Strong SCHEMBL28835220 0.83 PPARG (0.48) TP53PPARGSMN1; SMN2TSHR
SCHEMBL13570094 0.82 ALDH1A1 (0.50) TAS1R3TAS1R1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13263813 0.81 TAS1R3 (0.40) TAS1R3TAS1R1TP53PPARGALDH1A1
SCHEMBL20879262 0.81 TAS1R3 (0.40) TAS1R3TAS1R1TP53PPARGALDH1A1
SCHEMBL6745332 0.78 MAPK1 (0.33) TAS1R3TAS1R1PPARGALDH1A1
SCHEMBL6742914 0.78 MAPK1 (0.33) TAS1R3TAS1R1PPARGALDH1A1

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 9 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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP 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-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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
WO-2010074088-A1 CYCLIC AMINE 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 TAS1R3 460/4885TAS1R1 318/4885TP53 3433/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TAS1R3 580/4885TAS1R1 393/4885TP53 2995/4885

“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.