SCHEMBL6821605

SCHEMBL6821605

CCC(=O)CCCCCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 5/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
POLA1 P09884 1/20 0.44
DGKA P23743 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL14100963 1.00 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL7945009 1.00 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL10587561 1.00 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL9736474 0.98 TSHR (0.64) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL8187268 0.93 TSHR (0.71) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL11313358 0.88 TSHR (0.70) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL31578944 0.88 TSHR (0.70) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL31578856 0.88 TSHR (0.70) TSHRLMNAALDH1A1L3MBTL1EPHX2
SCHEMBL31579008 0.88 TSHR (0.70) TSHRLMNAALDH1A1L3MBTL1EPHX2
Hydrochloric Acid SCHEMBL9033471 0.86 TSHR (0.67) TSHRLMNAALDH1A1L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289161-A1 ALCOHOL-MEDIATED ESTERIFICATION OF CARBOXYLIC ACIDS WITH CARBONATES ARCHER DANIELS MIDLAND COMPANY 2016-10-06 US disclosed
WO-2004052872-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-24 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-20160289161-A1 ALCOHOL-MEDIATED ESTERIFICATION OF CARBOXYLIC ACIDS WITH CARBONATES ADH1C, ADH1A, ADH5 TSHR 3762/4885LMNA 1369/4885ALDH1A1 194/4885

“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.