SCHEMBL4661444

SCHEMBL4661444

N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NFKB1 P19838 1/20 0.49
▸ EGFR P00533 3/20 0.48
▸ MAOB P27338 2/20 0.46
▸ CISD1 Q9NZ45 1/20 0.45
▸ SLC16A3 O15427 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SLC16A1 P53985 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45

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
SCHEMBL4661446 1.00 LMNA (0.61) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL28450866 0.86 LMNA (0.60) LMNASMN1; SMN2KDM4EKMT2ANFKB1
SCHEMBL20603125 0.85 LMNA (0.48) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL30379656 0.85 LMNA (0.48) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL9233997 0.80 LMNA (0.53) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL11669632 0.79 SMN1; SMN2 (0.60) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL8544302 0.79 SMN1; SMN2 (0.60) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL8544307 0.79 SMN1; SMN2 (0.60) LMNASMN1; SMN2KDM4EPKMKMT2A
SCHEMBL1711226 0.79 KDM4E (0.60) LMNAKDM4EPKMKMT2AEGFR
SCHEMBL1711227 0.79 KDM4E (0.60) LMNAKDM4EPKMKMT2AEGFR

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-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 — — EP disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 — — EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 — — US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 — — US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 — — 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 (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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 LMNA 3473/4885SMN1; SMN2 3620/4885KDM4E 1711/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 LMNA 2736/4885SMN1; SMN2 1969/4885KDM4E 2836/4885

“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.

Send feedback