SCHEMBL6843613

SCHEMBL6843613

CCC(=O)N(CC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 15/20 0.71
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.52
RORC P51449 1/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51

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
SCHEMBL5231602 0.87 MLYCD (0.69) MLYCDLMNASMN1; SMN2RORC
SCHEMBL11472535 0.87 MLYCD (0.66) MLYCDLMNASMN1; SMN2TSHR
SCHEMBL3221857 0.85 MLYCD (0.69) MLYCDLMNA
SCHEMBL6846469 0.84 MLYCD (0.67) MLYCDLMNA
SCHEMBL6843952 0.83 MLYCD (0.66) MLYCDLMNA
SCHEMBL6843778 0.82 MLYCD (0.64) MLYCDLMNASMN1; SMN2RORCNR1H2
SCHEMBL4988361 0.82 MLYCD (1.00) MLYCD
SCHEMBL6846305 0.81 MLYCD (0.77) MLYCDLMNANR1H2NR1H3
SCHEMBL11621188 0.81 MLYCD (0.66) MLYCDLMNASMN1; SMN2RORCNR1H2
SCHEMBL17114641 0.78 RORC (0.61) MLYCDRORCNR1H2NR1H3

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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US claimed

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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA MLYCD 6/4885LMNA 1268/4885SMN1; SMN2 2021/4885

“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.