SCHEMBL6282109

SCHEMBL6282109

COc1ccc(-c2cccn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
PTGS2 P35354 4/20 0.49
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL6287434 0.93 ALDH1A1 (0.50) ALDH1A1PTGS2HPGDMAPTHTT
SCHEMBL6286504 0.93 RAB9A (0.50) ALDH1A1PTGS2HPGDMAPTHTT
SCHEMBL6282837 0.92 RAB9A (0.50) ALDH1A1PTGS2HPGDMAPTHTT
SCHEMBL6283438 0.92 KMT2A (0.51) ALDH1A1PTGS2HPGDMAPTHTT
SCHEMBL6287285 0.92 KMT2A (0.51) ALDH1A1PTGS2HPGDMAPTHTT
SCHEMBL6285619 0.89 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL5312437 0.87 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL5311642 0.87 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL5311859 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5314069 0.85 PTGS2 (0.69) PTGS2PTGS1

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
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM ALDH1A1 2470/4885PTGS2 4202/4885HPGD 4399/4885

“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.