SCHEMBL6742800

SCHEMBL6742800

CCOC(=O)CC/C=C/c1ccc(F)cc1[C@@H](C)OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
HTR2A P28223 1/20 0.31
HK1 P19367 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10132894 1.00 NR1I2 (0.33) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6742795 0.95 NR1I2 (0.34) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10132890 0.95 NR1I2 (0.34) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10132898 0.90 PDE5A (0.36) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6742361 0.90 PDE5A (0.36) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6742348 0.90 NR1I2 (0.33) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10164676 0.90 NR1I2 (0.33) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6742044 0.89 PPARG (0.35) MAPTRAB9ATSHRALDH1A1CYP3A4
SCHEMBL6742454 0.89 NR1I2 (0.32) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10165649 0.89 NR1I2 (0.32) NR1I2PGRADORA3PTGS2PDE4D

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
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-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-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 NR1I2 562/4885PGR 640/4885ADORA3 210/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR NR1I2 234/4885PGR 794/4885ADORA3 478/4885

“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.