SCHEMBL6744199

SCHEMBL6744199

CCCC(=O)c1cc(Cl)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.56
TSHR P16473 2/20 0.51
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NOS2 P35228 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6744997 0.86 TSHR (0.51) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL27598378 0.86 F2R (0.48) F2RALDH1A1LMNAHPGDMEN1
SCHEMBL5570026 0.82 ERCC5 (0.57) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL14050306 0.81 POLB (0.55) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL6744202 0.79 F2R (0.56) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL2081805 0.79 NOS2 (0.65) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL13265174 0.79 TSHR (0.51) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL18506189 0.79 HPGD (0.55) F2RTSHRALDH1A1LMNAHPGD
SCHEMBL7910317 0.79 TMPRSS4 (0.41) F2RALDH1A1HPGDNOS2MAPK1
SCHEMBL2125979 0.79 ALDH1A1 (0.65) TSHRALDH1A1LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374788-A1 INDANYL 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

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 F2R 651/4885TSHR 314/4885ALDH1A1 2584/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR F2R 465/4885TSHR 603/4885ALDH1A1 2138/4885

“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.