SCHEMBL6742440

SCHEMBL6742440

CCOC(=O)CC/C=C/c1cc(Cl)ccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6798312 1.00 MEN1 (0.35) MEN1KMT2AHPGDHTTUSP2
SCHEMBL6742792 0.91 PDE5A (0.35) HPGDMAPTTSHRNR1I2PGR
SCHEMBL10132886 0.91 PDE5A (0.35) HPGDMAPTTSHRNR1I2PGR
SCHEMBL6742795 0.90 NR1I2 (0.34) MEN1KMT2AMAPTTSHRNR1I2
SCHEMBL10132890 0.90 NR1I2 (0.34) MEN1KMT2AMAPTTSHRNR1I2
SCHEMBL13265318 0.88 KDM4E (0.38) ALDH1A1
SCHEMBL2473198 0.88 KDM4E (0.38) ALDH1A1
SCHEMBL10132898 0.87 PDE5A (0.36) HPGDMAPTTSHRNR1I2PGR
SCHEMBL6742361 0.87 PDE5A (0.36) HPGDMAPTTSHRNR1I2PGR
SCHEMBL10164676 0.87 NR1I2 (0.33) TSHRNR1I2PGRADORA3PTGS2

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 7 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-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

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 MEN1 1659/4885KMT2A 2928/4885HPGD 1935/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MEN1 2944/4885KMT2A 4655/4885HPGD 1037/4885

“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.