SCHEMBL13703243

SCHEMBL13703243

CCCCOC(=O)/C(=C(\O)C(C)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 6/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 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
SCHEMBL4544966 0.91 TSHR (0.51) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL26670106 0.89 TSHR (0.56) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL11860940 0.89 TSHR (0.56) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL8633590 0.82 TSHR (0.46) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL8633599 0.82 TSHR (0.46) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL28294255 0.81 TSHR (0.51) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL9815576 0.80 TSHR (0.53) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL9095382 0.79 CES2 (0.56) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL27657137 0.78 TSHR (0.45) TSHRL3MBTL1TDP1LMNAKDM4E
SCHEMBL9117004 0.78 KDM4E (0.46) TSHRL3MBTL1TDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 254/4885L3MBTL1 4574/4885TDP1 890/4885

“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.