SCHEMBL3680002

SCHEMBL3680002

CC(C)COC(=O)N1CCCC1C([O])=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.78
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
ACE P12821 6/20 0.40
REN P00797 3/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 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
SCHEMBL3680005 1.00 RAB9A (0.78) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL1010332 0.88 RAB9A (1.00) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL1010333 0.88 RAB9A (1.00) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL1012705 0.88 RAB9A (1.00) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL15148125 0.85 RAB9A (0.74) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL8544046 0.84 RAB9A (0.72) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL8544043 0.84 RAB9A (0.72) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL21675618 0.83 RAB9A (0.71) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL21225551 0.83 RAB9A (0.91) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL21241511 0.83 RAB9A (0.91) RAB9ATSHRHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582513-B1 PROCESS FOR REDUCTIVE DEHALOGENATION DAIICHI SANKYO CO LTD (JP) 2010-11-17 EP disclosed
US-20100130768-A1 METHOD FOR HYDRODEHALOGENATION OF ORGANIC HALOGEN COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
EP-1942087-A1 METHOD FOR DEHYDROHALOGENATION OF ORGANIC HALOGEN COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed
US-7199260-B2 Process for reductive dehalogenation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-04-03 US disclosed
US-20060052626-A1 Process for reductive dehaloganation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-09 US disclosed
EP-1582513-A1 PROCESS FOR REDUCTIVE DEHALOGENATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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 (1 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-20060052626-A1 Process for reductive dehaloganation IDUA, CYP2F1, DEK RAB9A 692/4885TSHR 582/4885HTT 2605/4885

“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.