SCHEMBL4954129

SCHEMBL4954129

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.38
GPR84 Q9NQS5 3/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
FFAR3 O14843 1/20 0.33

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
SCHEMBL4949374 0.85 EPHX1 (0.48) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL4951799 0.78 CHRM1 (0.38) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL1405514 0.77
SCHEMBL5328559 0.77
SCHEMBL5328465 0.75 HTT (0.40) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL4949366 0.75
SCHEMBL3151822 0.75
SCHEMBL723381 0.73 TDP1 (0.46) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL10633032 0.73 TDP1 (0.36) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL8926873 0.72 CPB1 (0.59) TDP1HDAC1HDAC2CHRM1AKR1A1

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 TDP1 3303/4885HDAC1 603/4885HDAC2 708/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 TDP1 4102/4885HDAC1 997/4885HDAC2 1949/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 TDP1 3273/4885HDAC1 1055/4885HDAC2 2217/4885

“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.