SCHEMBL4949374

SCHEMBL4949374

CCCCSC(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR84 Q9NQS5 4/20 0.40
FFAR1 O14842 1/20 0.40
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
MAPT P10636 2/20 0.39
PPARD Q03181 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LCK P06239 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL4954129 0.85 TDP1 (0.40) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL5165394 0.81 EPHX1 (0.44) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL160261 0.79 GPR84 (0.43) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL2474049 0.79 EPHX1 (0.57) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL6237122 0.77 CA2 (0.43) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL3134586 0.77 EPHX1 (0.41) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL4955447 0.77 EPHX1 (0.46) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL27308266 0.77 EPHX1 (0.46) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL27256562 0.74 EPHX1 (0.52) EPHX1CA2MAPK1GPR84FFAR1
SCHEMBL11542415 0.74 GPR84 (0.39) EPHX1CA2MAPK1GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO 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 (3 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 EPHX1 397/4885CA2 4221/4885MAPK1 4180/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 EPHX1 3900/4885CA2 3421/4885MAPK1 4344/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 EPHX1 4145/4885CA2 4241/4885MAPK1 2354/4885

“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.