SCHEMBL4544968

SCHEMBL4544968

CCCCCOC(=O)C(C(=O)OCCCCC)=C(O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
NPC1 O15118 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NAAA Q02083 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 5/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL4544958 0.88 TSHR (0.54) LMNACYP3A4L3MBTL1TSHRTP53
SCHEMBL4544975 0.82 LMNA (0.47) LMNANPC1CYP3A4CYP1A2CYP2D6
Isonicotinic Acid Pentyl Ester SCHEMBL1645891 0.81 LMNA (0.66) LMNANPC1CYP3A4CYP1A2CYP2D6
Isonicotinic Acid Octadecyl Ester SCHEMBL3128513 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL13610196 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL29067686 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL10780701 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
Isonicotinic Acid Hexyl Ester SCHEMBL4951158 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
N-Decyl Isonicotinate SCHEMBL4957558 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6
Isonicotinic Acid Octyl Ester SCHEMBL31313536 0.80 LMNA (0.68) LMNANPC1CYP3A4CYP1A2CYP2D6

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
US-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8178267-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-15 US disclosed
US-20090291377-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-09-17 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-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER HAX1, XDH, GLRX3 LMNA 4159/4885NPC1 4186/4885CYP3A4 78/4885

“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.