SCHEMBL3039601

SCHEMBL3039601

CCOC(C)OCc1cc(OC)c(B(O)O)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LDHA P00338 1/20 0.33
CA2 P00918 1/20 0.33
PTGS2 P35354 1/20 0.33
STAT3 P40763 1/20 0.32
CALM1 P0DP23 1/20 0.31
TRPM8 Q7Z2W7 5/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL3026929 0.88 ALDH1A1 (0.34) ALOX15ALOX12FOSTTRJUN
SCHEMBL3037684 0.85 ALOX15 (0.33) ALOX15ALOX12FOSTTRJUN
SCHEMBL12712736 0.84 FOS (0.37) ALOX15ALOX12FOSTTRJUN
SCHEMBL3044667 0.80 LMNA (0.40) LMNAALOX15ALOX12FOSTTR
SCHEMBL1021545 0.79 PTGS2 (0.37) CA2PTGS2CALM1
SCHEMBL13015950 0.77 ERN1 (0.39) FOSTTRJUNCA2PTGS2
SCHEMBL13220709 0.75 PTGS2 (0.57) LMNAFOSTTRJUNNR3C1
SCHEMBL13347308 0.73 PRKDC (0.39) LMNA
SCHEMBL5782140 0.72 ALDH1A1 (0.46) PTGS2
SCHEMBL920600 0.71 HSD17B10 (0.41) ALOX15CA2PTGS2

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-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
EP-2202233-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
EP-2202233-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 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-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE CYP3A4, CYP4B1, CYP51A1 LMNA 4426/4885ALOX15 1335/4885ALOX12 2117/4885

“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.