SCHEMBL4929668

SCHEMBL4929668

CCCNc1cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CCR2 P41597 2/20 0.42
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ACP1 P24666 1/20 0.37
TACR1 P25103 1/20 0.37
NR2E1 Q9Y466 2/20 0.37

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
SCHEMBL5717881 0.94 TRPA1 (0.44) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL4923724 0.93 LMNA (0.43) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL5104500 0.90 ALDH1A1 (0.52) LMNAALDH1A1THRATHRBACP1
SCHEMBL4929708 0.89 TRPA1 (0.47) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL4931483 0.89 TRPA1 (0.47) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL5109577 0.88 LMNA (0.45) LMNAALDH1A1THRATHRBACP1
SCHEMBL4931227 0.88 LMNA (0.45) LMNAALDH1A1CCR2THRATHRB
SCHEMBL5717827 0.87 THRA (0.45) TRPA1CYP1A2LMNAALDH1A1CCR2
SCHEMBL4933736 0.87 ALDH1A1 (0.44) TRPA1CYP1A2ALDH1A1CCR2THRA
SCHEMBL4929575 0.86 LMNA (0.40) TRPA1CYP1A2LMNAALDH1A1THRA

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 1307/4885LMNA 3893/4885

“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.