SCHEMBL4953007

SCHEMBL4953007

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
FAAH O00519 4/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2A P14555 3/20 0.33
PLA2G5 P39877 3/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL4954174 0.90 TP53 (0.34) FAAHMEN1KMT2ATP53ACE2
SCHEMBL9785015 0.88 EPHX1 (0.39) EPHX1FAAHSMN1; SMN2PLA2G2APLA2G5
SCHEMBL4956135 0.87 EPHX1 (0.38) EPHX1FAAHSMN1; SMN2PLA2G2APLA2G5
SCHEMBL4954486 0.82 TP53 (0.37) GPR84FFAR1PLA2G2APLA2G5MEN1
SCHEMBL4952672 0.81 SMN1; SMN2 (0.37) EPHX1FAAHGPR84FFAR1SMN1; SMN2
SCHEMBL4951668 0.79 CYP2C9 (0.37) EPHX1FAAHGPR84FFAR1SMN1; SMN2
SCHEMBL4955545 0.78 NAAA (0.53) SMN1; SMN2MEN1MAPK1KMT2APOLB
SCHEMBL4954485 0.78 EPHX1 (0.35) EPHX1FAAHGPR84FFAR1SMN1; SMN2
SCHEMBL4953329 0.78 FAAH (0.41) EPHX1FAAHSMN1; SMN2HDAC2MEN1
SCHEMBL4952995 0.76 ACE (0.32) ACE2

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 397/4885FAAH 402/4885GPR84 1794/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 EPHX1 3900/4885FAAH 514/4885GPR84 893/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 EPHX1 4145/4885FAAH 4446/4885GPR84 4587/4885

“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.