SCHEMBL4033827

SCHEMBL4033827

COc1cc(CO)cc(OC)c1OB(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGS2 P35354 1/20 0.44
MAPT P10636 2/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38

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
SCHEMBL4035285 0.85 HTR2A (0.46) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL1614223 0.83 PTGS2 (0.42) PTGS2MAPTHTR2AHTR2CHTR2B
SCHEMBL4042724 0.82 TNKS2 (0.58) PTGS2HTR2AHTR2CHTR2BPDE4D
SCHEMBL1122521 0.81 PTGS2 (0.64) HSD17B10ALOX15TSHRPTGS2MAPT
SCHEMBL7371460 0.79 PTGS2 (0.47) HSD17B10ALOX15TSHRPTGS2MAPT
SCHEMBL1021258 0.79 PTGS2 (0.43) PTGS2MAPTHTR2AHTR2CHTR2B
SCHEMBL5203371 0.78 CYP1A2 (0.43) MAPTALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL31090995 0.78 ACHE (0.60) PTGS2MAPTALDH1A1TUBB4ATUBB
SCHEMBL31038744 0.76 CYP3A4 (0.40) PTGS2MAPTALDH1A1TUBB4ATUBB
SCHEMBL17655662 0.76 PTGS2 (0.52) HSD17B10ALOX15TSHRPTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US claimed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP claimed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 US claimed
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 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 (3 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH HSD17B10 4104/4885ALOX15 4370/4885TSHR 118/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 HSD17B10 2995/4885ALOX15 4242/4885TSHR 80/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 HSD17B10 2916/4885ALOX15 4131/4885TSHR 67/4885

“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.