SCHEMBL5169927

SCHEMBL5169927

CCC(N)(CCc1ccc(C(=O)CCCCC2CCCCC2)s1)COC(=O)/C=C\C(=O)OCC(N)(CC)CCc1ccc(C(=O)CCCCC2CCCCC2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 6/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL6302860 0.88 S1PR3 (0.35) S1PR4S1PR1S1PR3S1PR5CYP3A4
SCHEMBL387082 0.86 S1PR1 (0.44) TDP1POLBHPGDNPC1TP53
SCHEMBL386629 0.86 TDP1 (0.40) TDP1POLBHPGDNPC1TP53
SCHEMBL385384 0.85 S1PR1 (0.43) TDP1POLBHPGDNPC1TP53
SCHEMBL5168842 0.85 TDP1 (0.41) TDP1POLBHPGDNPC1TP53
Maleic Acid SCHEMBL5169915 0.84 TDP1 (0.38) TDP1POLBHPGDNPC1TP53
Fumaric Acid SCHEMBL5169930 0.84 TDP1 (0.38) TDP1POLBHPGDNPC1TP53
SCHEMBL383697 0.83 S1PR1 (0.42) HPGDNPC1TP53TSHRRAB9A
SCHEMBL5165505 0.83 POLB (0.38) TDP1POLBHPGDNPC1TP53
SCHEMBL385528 0.81 S1PR1 (0.38) TDP1POLBHPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885POLB 2838/4885HPGD 1445/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885POLB 2838/4885HPGD 1445/4885

“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.