SCHEMBL5485757

SCHEMBL5485757

C=CC(=O)CCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PPARA Q07869 1/20 0.42
ESR1 P03372 2/20 0.41

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
SCHEMBL827467 0.95 LMNA (0.51) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL8966828 0.87 LMNA (0.50) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL14484202 0.87 NPC1 (0.50) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL14426402 0.87 NPC1 (0.50) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL14370292 0.87 MAPT (0.56) LMNANPC1CYP1A2CYP2D6CYP2C19
Hydroquinone SCHEMBL827468 0.86 ALDH1A1 (0.58) L3MBTL1ALDH1A1TSHRHTT
SCHEMBL17279027 0.86 HTT (0.47) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL13934493 0.86 HTT (0.47) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL30818987 0.86 LMNA (0.59) LMNANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL14370289 0.84 THRB (0.50) LMNANPC1CYP1A2CYP2D6CYP2C19

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-7193087-B2 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2007-03-20 US disclosed
US-20050211954-A1 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2005-09-29 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-20050211954-A1 4-Aminopyridinium compound CHRM1, PYM1, CHRM4 LMNA 781/4885NPC1 1830/4885CYP1A2 1124/4885

“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.