SCHEMBL4954061

SCHEMBL4954061

CCCSC(NC=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL4956762 0.89 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4951683 0.84 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3391444 0.78 TDP1 (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4956296 0.74 KDM4E (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4953275 0.73 CYP2C9 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4956990 0.72 HDAC3 (0.39) HDAC1HDAC2
SCHEMBL4949608 0.72 CHRM1 (0.30) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4956169 0.72 ALDH1A1 (0.47)
SCHEMBL4954174 0.70 TP53 (0.34)
SCHEMBL4951978 0.70 METAP2 (0.35) ADH1BADH1CADH1AADH4ADH7

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 ADH1B 250/4885ADH1C 112/4885ADH1A 213/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ADH1B 135/4885ADH1C 90/4885ADH1A 106/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ADH1B 3526/4885ADH1C 4063/4885ADH1A 3786/4885

“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.