SCHEMBL5167809

SCHEMBL5167809

CC(N)(CO)CCc1ccc(C(=O)CCCCCC2CCCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NAAA Q02083 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SPHK1 Q9NYA1 2/20 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
SCHEMBL386928 0.99 TDP1 (0.39) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL386150 0.96 POLB (0.37) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL5168842 0.88 TDP1 (0.41) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL383591 0.87 S1PR4 (0.40) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL386629 0.86 TDP1 (0.40) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL385185 0.86 S1PR4 (0.39) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL384301 0.85 S1PR1 (0.46) TDP1POLBTBXA2RS1PR3
SCHEMBL5166200 0.85 POLB (0.36) TDP1POLBALDH1A1LMNAPRNP
SCHEMBL385737 0.84 S1PR1 (0.47) TDP1POLBHPGDNPC1TP53
SCHEMBL6310394 0.84 CEL (0.38) CYP3A4SPHK1CYSLTR2CYSLTR1CYP2C8

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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP claimed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
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 2838/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885POLB 2838/4885ALDH1A1 129/4885

“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.