SCHEMBL4951966

SCHEMBL4951966

CCCSCCC(OC(=O)CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 8/20 0.34
BHMT2 Q9H2M3 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 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
SCHEMBL4954012 0.90 MAPT (0.36) BHMTBHMT2
SCHEMBL4953320 0.88 ALDH1A1 (0.36) BHMTBHMT2TDP1CHRM1AKR1A1
SCHEMBL4954758 0.88 BHMT (0.33) BHMTBHMT2TDP1CHRM1AKR1A1
SCHEMBL4951805 0.88 TSHR (0.37) BHMTBHMT2PPARGPPARA
SCHEMBL4951899 0.84 METAP2 (0.35) TDP1
SCHEMBL4954184 0.84 NOS2 (0.36) BHMTBHMT2TDP1CHRM1AKR1A1
SCHEMBL4953141 0.82 RNPEP (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1396424 0.81 CHRM1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28023389 0.81 CHRM1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4955358 0.80 BHMT (0.36) BHMTBHMT2TDP1CHRM1AKR1A1

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 5 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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US 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 BHMT 2490/4885BHMT2 1311/4885TDP1 3303/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 BHMT 4314/4885BHMT2 3866/4885TDP1 4102/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 BHMT 4126/4885BHMT2 4229/4885TDP1 3273/4885

“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.