SCHEMBL3036388

SCHEMBL3036388

CCCOC(C)OCc1cc(OC)c(Br)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR2A P28223 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
FOS P01100 1/20 0.31
TTR P02766 1/20 0.31
JUN P05412 1/20 0.31
NR3C1 P04150 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL3044667 0.87 LMNA (0.40) CA2PTGS2HTR2AALOX15ALOX12
SCHEMBL3043068 0.81 CA2 (0.35) CA2PTGS2HTR2AALOX15ALOX12
SCHEMBL3026929 0.81 ALDH1A1 (0.34) ALDH1A1CA2PTGS2SIGMAR1ALOX15
SCHEMBL1613836 0.80 MAPT (0.37) CA2PTGS2HTR2AFOSTTR
SCHEMBL1023208 0.74 PTGS2 (0.41) ALDH1A1SMN1; SMN2CA2PTGS2HTR2A
SCHEMBL21519802 0.73 SMPD1 (0.39) PTGS2
SCHEMBL3037185 0.72 PTGS2 (0.40) ALDH1A1CA2PTGS2HTR2A
SCHEMBL21519740 0.71 PTGS2 (0.34) SMN1; SMN2CA2PTGS2MEN1KMT2A
SCHEMBL21540549 0.70 L3MBTL1 (0.35) SMN1; SMN2CA2PTGS2MEN1KMT2A
SCHEMBL30677952 0.70 L3MBTL1 (0.35) SMN1; SMN2CA2PTGS2MEN1KMT2A

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 ALDH1A1 257/4885SMN1; SMN2 3795/4885CA2 4183/4885

“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.