SCHEMBL4846053

SCHEMBL4846053

C=C(CCC)C(=O)O.COS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TET2 Q6N021 1/20 0.31
TSHR P16473 1/20 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
Ammonia Solution, Strong SCHEMBL7054400 0.98 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
Methylamine SCHEMBL5692650 0.96 FFAR3 (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL69320 0.94 FFAR3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL1345929 0.94 FFAR3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10893137 0.91 FFAR3 (0.30) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10663698 0.90
SCHEMBL6142286 0.90
SCHEMBL9101444 0.85 FFAR3 (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL4972950 0.84 ALDH1A1 (0.37) ALDH1A1CES2CES1CA12CA14
SCHEMBL6931530 0.83 TET2 (0.33) FFAR3TET2

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
EP-0995610-B1 Ink jet recording element with overcoat layer EASTMAN KODAK CO (US) 2003-12-03 EP claimed
US-7361712-B2 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2008-04-22 US disclosed
US-20080075682-A1 Method and composition for permanently shaping hair THE PROCTER & GAMBLE COMPANY 2008-03-27 US disclosed
US-20050080194-A1 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2005-04-14 US disclosed
WO-2002018281-A1 METHOD FOR DEWATERING OF SLUDGE ONDEO NALCO COMPANY (US) 2002-03-07 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 (1 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-20080075682-A1 Method and composition for permanently shaping hair DNMT1, DNMT3A, KRT18 FFAR3 433/4885HDAC3 69/4885HDAC1 54/4885

“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.