SCHEMBL4950132

SCHEMBL4950132

CCCSCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.51
CA1 P00915 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PRSS1 P07477 1/20 0.45

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
SCHEMBL4956315 0.92 CA2 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830017 0.90 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL4955422 0.90 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL4953001 0.87 HDAC3 (0.51) CA1CA12CA9ALDH1A1MEN1
SCHEMBL9829285 0.85 RAB9A (0.60) CA2CA1CA12CA9ALDH1A1
SCHEMBL3948327 0.85 RAB9A (0.60) CA2CA1CA12CA9ALDH1A1
SCHEMBL3155870 0.84 CA2 (0.49) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL3155874 0.84 CA2 (0.49) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL3155878 0.84 CA2 (0.49) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL1158031 0.84 CA2 (0.69) CA2CA1CA12CA9ALDH1A1

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 CA2 4221/4885CA1 2396/4885CA12 1490/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 CA2 3421/4885CA1 4589/4885CA12 3844/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 CA2 4241/4885CA1 4744/4885CA12 4794/4885

“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.