SCHEMBL1661748

SCHEMBL1661748

COCc1cc(OC)c(C(=O)C(C)Br)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LDHA P00338 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35
ALOX5 P09917 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TNFRSF1A P19438 1/20 0.35

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
SCHEMBL8546757 0.80 CYP3A4 (0.51) KMT2AUSP2CYP3A4MAPK1SMN1; SMN2
SCHEMBL20627981 0.78 CA12 (0.52) TSHRLDHAKMT2AMEN1GAA
SCHEMBL1613083 0.78 CYP3A4 (0.53) TSHRLDHAKMT2AMEN1GAA
SCHEMBL1612678 0.77 HPGDS (0.44) TSHRLDHAKMT2AMEN1GAA
SCHEMBL1662884 0.75 HMGCR (0.46) KMT2AMEN1GAAMAPTHPGD
SCHEMBL12712826 0.72 HPGDS (0.40) KMT2AMEN1GAAMAPTHPGD
SCHEMBL7959757 0.70 PTGS2 (0.64) MAPTCYP3A4TUBB1TUBB4ATUBB
SCHEMBL3037185 0.69 PTGS2 (0.40) MAPTTUBB1ALOX5TUBB4ATUBB
SCHEMBL28325906 0.69 AKR1B1 (0.52) ALOX15KMT2AGAAMAPTMET
SCHEMBL1612679 0.69 ERN1 (0.38) TSHRLDHAMAPTHPGDSMN1; SMN2

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
EP-2487177-A1 PYRAZOLOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
EP-2487177-A1 PYRAZOLOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
US-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
WO-2011043387-A1 PYRAZOLOXAZOLE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2011-04-14 WO disclosed
US-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 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 (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-20110086898-A1 PYRAZOLOOXAZOLE COMPOUND CRHR1, MC2R, CRHR2 ALOX15 1300/4885TSHR 81/4885HSD17B10 2101/4885

“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.