SCHEMBL4420295

SCHEMBL4420295

CCN(CC)P(=O)(O)Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 5/20 0.45
▸ NR1H2 P55055 12/20 0.44
▸ NR1H3 Q13133 12/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR1I2 O75469 1/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
Butane SCHEMBL4420291 0.78 NR1H2 (0.46) MLYCDNR1H2NR1H3LMNASMN1; SMN2
SCHEMBL4422384 0.74 NR1H2 (0.44) MLYCDNR1H2NR1H3LMNANR1I2
SCHEMBL2738935 0.69 SLC6A4 (0.51) LMNASMN1; SMN2
SCHEMBL4883281 0.68 LMNA (0.52) MLYCDNR1H2NR1H3LMNANR1I2
SCHEMBL7131226 0.67 MLYCD (0.56) MLYCDNR1H2NR1H3RORARORC
SCHEMBL14255603 0.67 NR1H2 (0.49) MLYCDNR1H2NR1H3LMNANR1I2
SCHEMBL9500519 0.66 NR1H2 (0.54) MLYCDNR1H2NR1H3SMN1; SMN2
Butane SCHEMBL4422381 0.66 NR1H2 (0.49) MLYCDNR1H2NR1H3LMNASMN1; SMN2
SCHEMBL131990 0.66 NR1H2 (0.68) MLYCDNR1H2NR1H3SMN1; SMN2
SCHEMBL14072830 0.65 NR1H3 (0.50) MLYCDNR1H2NR1H3LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4267920-B2 — — 2009-05-27 — — JP claimed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 — — US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 — — US claimed
JP-2004523542-A — — 2004-08-05 — — JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 — — US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 — — EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 — — WO 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 (2 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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MLYCD 1/4885NR1H2 1305/4885NR1H3 1471/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H2 1233/4885NR1H3 1405/4885

“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.

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