SCHEMBL4923914

SCHEMBL4923914

CCCNc1cc(COc2c(Cl)cc(CC(F)C(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.42
CYP1A2 P05177 2/20 0.42
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MRGPRX4 Q96LA9 7/20 0.39
FFAR4 Q5NUL3 2/20 0.37
PPARD Q03181 1/20 0.34
FFAR1 O14842 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL4934146 0.93 MME (0.40) TRPA1CYP1A2MMEACECPA1
SCHEMBL4933384 0.90 THRB (0.44) TRPA1CYP1A2MMEACECPA1
SCHEMBL4931288 0.89 MRGPRX4 (0.39) MMEACECPA1ACE2MRGPRX4
SCHEMBL4931731 0.89 MRGPRX4 (0.40) MMEACECPA1ACE2MRGPRX4
SCHEMBL4933984 0.88 FFAR1 (0.39) MRGPRX4FFAR4FFAR1
SCHEMBL5111939 0.87 ALDH1A1 (0.42) MMEACECPA1ACE2MRGPRX4
SCHEMBL4931145 0.87 MME (0.40) TRPA1MMEACECPA1ACE2
SCHEMBL5110521 0.87 MRGPRX4 (0.39) MMEACECPA1ACE2MRGPRX4
SCHEMBL4932666 0.87 FFAR1 (0.38) TRPA1MRGPRX4FFAR1
SCHEMBL4934220 0.86 MME (0.42) MMEACECPA1ACE2MRGPRX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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 (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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA TRPA1 675/4885CYP1A2 1307/4885MME 2170/4885

“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.