SCHEMBL4544967

SCHEMBL4544967

[CH2-][NH2+]/C(C(=O)OCCCCCCCC)=C(/O)c1ccc([NH+]([O-])O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
STS P08842 6/20 0.38
PLA2G4B P0C869 1/20 0.38
LMNA P02545 2/20 0.37
RARB P10826 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4544986 0.84 TSHR (0.49) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL4544949 0.83 TSHR (0.48) ALDH1A1NPC1RAB9ATSHRTP53
SCHEMBL4544975 0.81 LMNA (0.47) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL4544991 0.76 ALDH1A1 (0.43) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL4544962 0.75 PLA2G2D (0.40) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL4544960 0.72 TSHR (0.54) ALDH1A1TSHRLMNA
SCHEMBL4544985 0.72 TSHR (0.50) ALDH1A1TSHRLMNA
SCHEMBL4544970 0.72 TSHR (0.54) ALDH1A1TSHRLMNA
SCHEMBL4544980 0.68 TSHR (0.46) ALDH1A1TSHR
SCHEMBL4544983 0.68 TSHR (0.46) ALDH1A1TSHR

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 ALDH1A1 3741/4885NPC1 4186/4885MAPT 4455/4885

“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.