SCHEMBL6744202

SCHEMBL6744202

CCCC(=O)c1cc(F)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.56
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
HTR7 P34969 1/20 0.42
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7915354 0.87 HTR7 (0.49) F2RALDH1A1HTR7MEN1KMT2A
SCHEMBL21780538 0.86 F2R (0.56) F2RALDH1A1TSHRHPGDALOX15
SCHEMBL27583391 0.86 F2R (0.48) F2RALDH1A1ALOX15HSD17B10HTR7
SCHEMBL25742812 0.81 HSD17B10 (0.59) ALDH1A1TSHRHPGDALOX15RECQL
SCHEMBL13265122 0.81 KMT2A (0.49) F2RALDH1A1TSHRHPGDALOX15
SCHEMBL18797551 0.80 PTPN1 (0.52) F2RALDH1A1LMNAMAPTCES2
SCHEMBL6744199 0.79 F2R (0.56) F2RALDH1A1TSHRHPGDALOX15
SCHEMBL13263814 0.79 HPGD (0.44) F2RALDH1A1TSHRHPGDALOX15
SCHEMBL18506189 0.79 HPGD (0.55) F2RALDH1A1TSHRHPGDALOX15
SCHEMBL6944180 0.79 CES2 (0.57) ALDH1A1TSHRHPGDALOX15RECQL

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 11 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

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

“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.