SCHEMBL4544986

SCHEMBL4544986

[CH2-][NH2+]/C(C(=O)OCCCCCCCCCCCCCC)=C(/O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 3/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4544949 0.99 TSHR (0.48) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL4544975 0.88 LMNA (0.47) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL4544967 0.84 ALDH1A1 (0.40) TSHRLMNAALDH1A1TP53NPC1
SCHEMBL4544958 0.80 TSHR (0.54) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL4544970 0.78 TSHR (0.54) TSHRLMNAALDH1A1CES2
SCHEMBL11490166 0.78 TSHR (0.58) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL2564553 0.78 TSHR (0.58) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL14993129 0.78 TSHR (0.58) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL4544960 0.78 TSHR (0.54) TSHRLMNAALDH1A1CES2
SCHEMBL6025145 0.78 TSHR (0.58) TSHRLMNAALDH1A1TP53CYP3A4

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 TSHR 254/4885LMNA 4159/4885ALDH1A1 3741/4885

“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.