SCHEMBL5508672

SCHEMBL5508672

CCOC(=O)OCCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SOAT1 P35610 1/20 0.44
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP8 P22894 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL16522403 0.94 ALDH1A1 (0.52) ALDH1A1SOAT1MEN1KMT2ALMNA
SCHEMBL18838835 0.92 ALDH1A1 (0.50) ALDH1A1SOAT1TSHRL3MBTL1
SCHEMBL27608645 0.92 ALDH1A1 (0.50) ALDH1A1SOAT1TSHRL3MBTL1
SCHEMBL9069149 0.91 BLM (0.40) ALDH1A1TDP1LMNAHSD17B10BLM
SCHEMBL5511449 0.87 ALDH1A1 (0.59) ALDH1A1SOAT1TDP1KMT2ALMNA
SCHEMBL2347061 0.85 RARB (0.42) ALDH1A1TDP1LMNAHSD17B10BLM
SCHEMBL1080614 0.84 ALDH1A1 (0.38) ALDH1A1SOAT1TDP1MEN1KMT2A
SCHEMBL1940168 0.83 RARB (0.41) ALDH1A1LMNABLMTSHR
SCHEMBL6269256 0.83 RARB (0.41) ALDH1A1LMNABLMTSHR
SCHEMBL2338283 0.83 RARB (0.41) ALDH1A1LMNABLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-9221878-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
WO-2015031381-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C ENANTA PHARMACEUTICALS, INC. (US) 2015-03-05 WO disclosed
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20140186449-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-20140186448-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 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 (6 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-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS ALDH1A1 3792/4885SOAT1 2878/4885TDP1 3662/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885SOAT1 1569/4885TDP1 3586/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 ALDH1A1 356/4885SOAT1 1534/4885TDP1 4351/4885
US-20140186449-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885SOAT1 1569/4885TDP1 3586/4885
US-20140186448-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885SOAT1 1569/4885TDP1 3586/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS ALDH1A1 3792/4885SOAT1 2878/4885TDP1 3662/4885

“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.