SCHEMBL5367622

SCHEMBL5367622

C=CC(=O)CCCCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 6/20 0.58
POLB P06746 1/20 0.47
POLA1 P09884 1/20 0.47
RECQL P46063 1/20 0.47
OXER1 Q8TDS5 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL8852310 0.96 TSHR (0.65) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL10925756 0.86 TSHR (0.62) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL14400928 0.83 TSHR (0.46) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL21127357 0.81 TSHR (0.45) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL14975 0.81 TSHR (0.88) ALDH1A1LMNATSHRRECQLKMT2A
SCHEMBL6557587 0.81 ALDH1A1 (0.50) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL27953228 0.81 TSHR (0.88) ALDH1A1LMNATSHRRECQLKMT2A
SCHEMBL28036724 0.79 LMNA (0.58) ALDH1A1LMNATSHRPOLBPOLA1
Ethylene SCHEMBL11220450 0.79 TSHR (0.74) ALDH1A1LMNATSHRPOLBPOLA1
Ethylene SCHEMBL11226694 0.79 TSHR (0.74) ALDH1A1LMNATSHRPOLBPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 EP disclosed
US-6965029-B2 Method for producing enantiomer-free 6,8 dihydroxy octanoic acid esters by means of asymmetric, catalytic hydrogenation VIATRIS GMBH & CO. KG (DE) 2005-11-15 US disclosed
EP-1303475-B1 METHOD FOR PRODUCING ENANTIOMER-FREE 6,8 DIHYDROXY OCTANOIC ACID ESTERS BY MEANS OF ASYMMETRIC, CATALYTIC HYDROGENATION VIATRIS GMBH (DE) 2005-06-08 EP disclosed
US-20040030178-A1 Method for producing enantiomer-free 6,8 dihydroxy octanoic acid esters by means of asymmetric, catalytic hydrogenation VIATRIS GMBH & CO. KG (DE) 2004-02-12 US disclosed
EP-1303475-A1 METHOD FOR PRODUCING ENANTIOMER-FREE 6,8 DIHYDROXY OCTANOIC ACID ESTERS BY MEANS OF ASYMMETRIC, CATALYTIC HYDROGENATION VIATRIS GmbH & Co. KG (DE) 2003-04-23 EP disclosed
WO-2002010113-A1 METHOD FOR PRODUCING ENANTIOMER-FREE 6,8 DIHYDROXY OCTANOIC ACID ESTERS BY MEANS OF ASYMMETRIC, CATALYTIC HYDROGENATION VIATRIS GMBH & CO. KG (DE) 2002-02-07 WO 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-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 ALDH1A1 863/4885LMNA 4036/4885TSHR 4390/4885
US-20040030178-A1 Method for producing enantiomer-free 6,8 dihydroxy octanoic acid esters by means of asymmetric, catalytic hydrogenation ACSL6, HACL2, CYP8B1 ALDH1A1 180/4885LMNA 2721/4885TSHR 3479/4885

“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.