SCHEMBL4088429

SCHEMBL4088429

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
FOLH1 Q04609 2/20 0.53
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 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
SCHEMBL4088425 1.00 HTT (0.58) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL27820665 0.78 HTT (0.63) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL14535437 0.77 HTT (0.71) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL19658757 0.77 HTT (0.71) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL13662812 0.75 HTT (0.60) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL1153625 0.75 HTT (0.60) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL17966983 0.75 HTT (0.60) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL4862572 0.75 HTT (0.69) HTTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL13241282 0.74 MEN1 (0.46) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL23000164 0.74 HTT (0.62) HTTALDH1A1KDM4ECYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 HTT 3885/4885ALDH1A1 159/4885KDM4E 3267/4885

“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.