SCHEMBL17286189

SCHEMBL17286189

COC(=O)CSCCCCCCCCCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.42
KDM1A O60341 1/20 0.41
CES2 O00748 3/20 0.41
THRB P10828 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FAAH O00519 4/20 0.37
CES1 P23141 4/20 0.37
PLA2G6 O60733 1/20 0.37
TSHR P16473 2/20 0.37
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL17286188 0.94 KDM1A (0.40) PAOXKDM1ACES2THRBGMNN
SCHEMBL8435869 0.84
SCHEMBL15282914 0.83 KDM1A (0.47) KDM1ACES2THRBGMNNTP53
SCHEMBL14972396 0.82 TSHR (0.54) KDM1ACES2THRBGMNNTP53
SCHEMBL10745729 0.82 CES2 (0.62) KDM1ACES2THRBGMNNTP53
SCHEMBL10066865 0.82 CES2 (0.62) KDM1ACES2THRBGMNNTP53
SCHEMBL9873254 0.82 CES2 (0.62) KDM1ACES2THRBGMNNTP53
SCHEMBL4300387 0.82 CES2 (0.62) KDM1ACES2THRBGMNNTP53
SCHEMBL9857500 0.82 CES2 (0.62) KDM1ACES2THRBGMNNTP53
Hydrochloric Acid SCHEMBL11190904 0.82 KDM4E (0.42) KDM1ATP53POLBMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183297-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2017-06-29 US disclosed
US-20170183297-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2017-06-29 US disclosed
WO-2015176135-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-26 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-20170183297-A1 OMEGA-3 ANALOGUES ELOVL3, PTGER3, PTGES3 PAOX 544/4885KDM1A 4791/4885CES2 3673/4885

“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.