SCHEMBL5168929

SCHEMBL5168929

CC(N)(CO)CCc1ccc(C(=O)CCCCc2ccc(Cl)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LTB4R Q15722 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 2/20 0.36

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
SCHEMBL5167821 0.90 POLB (0.41) POLBTDP1LTB4RALDH1A1LMNA
SCHEMBL5169197 0.90 POLB (0.45) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5167470 0.90 POLB (0.43) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL6774680 0.89 POLB (0.44) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL385369 0.89 POLB (0.42) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3082998 0.89 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL383586 0.89 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5168036 0.88 POLB (0.40) POLBTDP1HDAC6ALDH1A1LMNA
SCHEMBL5166467 0.88 ALDH1A1 (0.43) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5166341 0.88 POLB (0.48) POLBTDP1ALDH1A1LMNAPRNP

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 POLB 2838/4885TDP1 3661/4885HDAC3 1784/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885HDAC3 1784/4885

“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.