SCHEMBL6744725

SCHEMBL6744725

CCC[C@@H](OCC1CO1)c1cccc(Cl)c1CCC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
RIPK1 Q13546 2/20 0.35
MGLL Q99685 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL6744910 0.92 MEN1 (0.37) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL6796127 0.87 MEN1 (0.37) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL6744914 0.87 MEN1 (0.37) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL10134614 0.83 MGLL (0.38) KDM4EALDH1A1MGLLGAA
SCHEMBL13265178 0.80 CYP4F2 (0.36) ALDH1A1MGLLTSHRPOLBGAA
SCHEMBL6745211 0.80 CYP4F2 (0.36) ALDH1A1MGLLTSHRPOLBGAA
SCHEMBL6744520 0.80 CYP4F2 (0.36) ALDH1A1MGLLPOLBGAA
SCHEMBL10134603 0.80 MGLL (0.36) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL10132776 0.80 L3MBTL1 (0.39) TDP1KMT2AMGLLPOLBL3MBTL1
SCHEMBL6742387 0.80 L3MBTL1 (0.39) TDP1KMT2AMGLLPOLBL3MBTL1

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-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
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 KDM4E 3243/4885ALDH1A1 2584/4885TDP1 3917/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR KDM4E 4236/4885ALDH1A1 2138/4885TDP1 4784/4885

“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.