SCHEMBL4954479

SCHEMBL4954479

CCSCCC(OC(=O)C(C)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.40
METAP1 P53582 2/20 0.40
TSHR P16473 1/20 0.35
BHMT Q93088 2/20 0.33
BHMT2 Q9H2M3 1/20 0.33
TP53 P04637 1/20 0.32
FOLH1 Q04609 4/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30

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
SCHEMBL4955358 0.89 BHMT (0.36) METAP2METAP1BHMTBHMT2TP53
SCHEMBL4954373 0.87 METAP2 (0.37) METAP2METAP1TSHRBHMTBHMT2
SCHEMBL4954168 0.86 GPR84 (0.35) BHMTBHMT2TP53GPR84FFAR1
SCHEMBL4949335 0.83 RNPEP (0.44) METAP2METAP1TP53FOLH1
SCHEMBL4951876 0.83 TP53 (0.34) METAP2METAP1TP53
SCHEMBL5330977 0.82 TSHR (0.34) METAP2METAP1TSHR
SCHEMBL4953747 0.81 TSHR (0.38) METAP2METAP1TSHRBHMTBHMT2
SCHEMBL4951805 0.79 TSHR (0.37) METAP2METAP1TSHRBHMTBHMT2
SCHEMBL4952560 0.78 METAP2 (0.44) METAP2METAP1PPARGPPARA
SCHEMBL4953978 0.78 TSHR (0.36) METAP2METAP1TSHRBHMTBHMT2

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 METAP2 2666/4885METAP1 3714/4885TSHR 4149/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 METAP2 3008/4885METAP1 2414/4885TSHR 1282/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 METAP2 3176/4885METAP1 1638/4885TSHR 4028/4885

“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.