SCHEMBL3044667

SCHEMBL3044667

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CA2 P00918 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2A P28223 4/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
LDHA P00338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 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
SCHEMBL3036388 0.87 ALDH1A1 (0.34) CA2PTGS2HTR2AALOX15ALOX12
SCHEMBL13347308 0.86 PRKDC (0.39) LMNAKDM4E
SCHEMBL3043068 0.83 CA2 (0.35) CA2PTGS2HTR2AALOX15ALOX12
SCHEMBL1613836 0.82 MAPT (0.37) CA2PTGS2HTR2AFOSTTR
SCHEMBL3039601 0.80 LMNA (0.36) LMNACA2PTGS2ALOX15ALOX12
SCHEMBL1023208 0.77 PTGS2 (0.41) CA2PTGS2HTR2AHTR2CHTR2B
Ethylene SCHEMBL5783390 0.75 ALDH1A1 (0.40) LMNAKDM4E
SCHEMBL3037185 0.74 PTGS2 (0.40) CA2PTGS2HTR2AHTR2CHTR2B
SCHEMBL8429647 0.72 PTGS2 (0.64) CA2PTGS2HTR2AHTR2CHTR2B
SCHEMBL30041126 0.69 CA2 (0.43) CA2PTGS2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101827843-A Pyrazole fused ring derivatives and process for preparation thereof EISAI R&D MAN CO LTD 2010-09-08 CN 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
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 4426/4885CA2 4183/4885PTGS2 1037/4885

“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.