SCHEMBL6310783

SCHEMBL6310783

CC(N)(CO)CCc1ccc(C(=O)CCCCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTGER4 P35408 2/20 0.41
EPHX1 P07099 5/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
AURKA O14965 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.36
CES1 P23141 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
SCHEMBL5166143 0.91 POLB (0.40) PTGER4TDP1POLBKMT2AFAAH
SCHEMBL5168978 0.88 NAAA (0.40) TDP1POLBFAAH
SCHEMBL385747 0.88 ACP3 (0.40) HDAC1HDAC8PTGER4EPHX1GRM2
SCHEMBL5166926 0.88 POLB (0.40) HDAC1HDAC8TDP1POLBFAAH
SCHEMBL5170464 0.87 POLB (0.40) TDP1POLBFAAHCES1
SCHEMBL5167076 0.87 NAAA (0.41) HDAC1HDAC8GRM2GRM3TAAR1
SCHEMBL380170 0.86 S1PR1 (0.43) HDAC1HDAC8PTGER4TDP1AURKA
SCHEMBL5166217 0.86 NAAA (0.41) GRM2GRM3TDP1POLBFAAH
SCHEMBL3082998 0.85 TDP1 (0.46) TDP1POLBMAPTFAAHCES1
SCHEMBL383586 0.85 TDP1 (0.46) TDP1POLBMAPTFAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 1443/4885HDAC8 1732/4885PTGER4 756/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HDAC1 1443/4885HDAC8 1732/4885PTGER4 756/4885

“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.