SCHEMBL387695

SCHEMBL387695

CC(CCc1ccc(C(=O)CCCCc2ccccc2)s1)COC(=O)/C=C\C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
FAAH O00519 7/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES1 P23141 4/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
DPP4 P27487 1/20 0.35

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
Fumaric Acid SCHEMBL1363596 0.87 POLB (0.43) FAAHPOLBTDP1CES1ALDH1A1
Maleic Acid SCHEMBL4564915 0.87 POLB (0.43) FAAHPOLBTDP1CES1ALDH1A1
SCHEMBL4421342 0.81 TDP1 (0.47) FAAHPOLBTDP1CES1ALDH1A1
SCHEMBL6775335 0.80 HCAR2 (0.45) HCAR2TDP1ALDH1A1LMNA
SCHEMBL383977 0.77 POLB (0.41) HCAR2FAAHPOLBTDP1CES1
SCHEMBL5168860 0.75 POLB (0.45) FAAHPOLBTDP1CES1ALDH1A1
Maleic Acid SCHEMBL383976 0.74 POLB (0.42) FAAHPOLBTDP1CES1ALDH1A1
Fumaric Acid SCHEMBL383978 0.74 POLB (0.42) FAAHPOLBTDP1CES1ALDH1A1
SCHEMBL387696 0.74 POLB (0.40) FAAHPOLBTDP1CES1ALDH1A1
Oxalic Acid SCHEMBL5167291 0.74 POLB (0.44) FAAHPOLBTDP1CES1ALDH1A1

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-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US 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-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 HCAR2 47/4885FAAH 486/4885POLB 1738/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A HCAR2 601/4885FAAH 967/4885POLB 1476/4885

“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.