SCHEMBL6258696

SCHEMBL6258696

COc1ccc(-c2nc(OC)oc2-c2ccc(OCCN)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL6539414 0.88 PPARD (0.43) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6539003 0.86 ALDH1A1 (0.46) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6278582 0.84 HSD17B10 (0.43) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6539799 0.84 ALDH1A1 (0.40) PPARDKMT2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL6539296 0.83 HSD17B10 (0.42) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6539783 0.83 ALDH1A1 (0.39) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6232537 0.83 KMT2A (0.41) PPARDKMT2AALDH1A1MAPTMEN1
SCHEMBL6538964 0.82 PPARD (0.39) PPARDALDH1A1KDM4EPTGS2
Hydrochloric Acid SCHEMBL6207772 0.82 KMT2A (0.39) PPARDKMT2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL6539698 0.82 KMT2A (0.39) PPARDKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885KMT2A 3081/4885ALDH1A1 163/4885

“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.