SCHEMBL6239844

SCHEMBL6239844

COC(=O)CCCCC(=O)CCO

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 4/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
KAT2B Q92831 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 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
SCHEMBL31578986 0.91 TSHR (0.74) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL18528321 0.89 TSHR (0.58) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL6053220 0.89 TSHR (0.58) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL11313358 0.88 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31578856 0.88 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31579008 0.88 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL31578944 0.88 TSHR (0.70) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL29209613 0.86 TSHR (0.65) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL8038535 0.86 TSHR (0.67) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL13224279 0.86 TSHR (0.67) TSHRLMNAALDH1A1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040030178-A1 Method for producing enantiomer-free 6,8 dihydroxy octanoic acid esters by means of asymmetric, catalytic hydrogenation ACSL6, HACL2, CYP8B1 TSHR 3479/4885LMNA 2721/4885ALDH1A1 180/4885

“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.