SCHEMBL3977656

SCHEMBL3977656

COC(=O)c1occ(CO[Si](C)(C)C(C)(C)C)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
BACE1 P56817 1/20 0.41
PTGS1 P23219 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.34
AR P10275 1/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
DAGLA Q9Y4D2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4279549 0.89 TACR1 (0.41) TACR1BACE1LMNAALDH1A1SMN1; SMN2
SCHEMBL3977272 0.87 TACR1 (0.43) TACR1BACE1ALDH1A1SMN1; SMN2TP53
SCHEMBL3975619 0.81 NPC1 (0.37) TACR1BACE1PTGS1LMNAALDH1A1
SCHEMBL3977057 0.79 PTGS1 (0.42) PTGS1LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL4244119 0.76 MGLL (0.44) LMNAALDH1A1SMN1; SMN2TP53RAB9A
SCHEMBL3981371 0.75 TACR1 (0.38) TACR1BACE1ALDH1A1POLBGAA
SCHEMBL3980883 0.75 TACR1 (0.37) TACR1BACE1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25591913 0.74 ALDH1A1 (0.50) BACE1LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL6555726 0.73 MAPK8 (0.41) PTGS1LMNAALDH1A1SMN1; SMN2AR
SCHEMBL3977063 0.72 LMNA (0.45) PTGS1LMNAALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 TACR1 485/4885BACE1 2433/4885PTGS1 1730/4885

“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.