SCHEMBL4582090

SCHEMBL4582090

COc1cc(CNO)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54
TUBB6 Q9BUF5 2/20 0.54
TUBB2B Q9BVA1 2/20 0.54
TUBB1 Q9H4B7 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL9542251 0.83 GAA (0.71) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL680502 0.81 PTGS2 (0.59) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8719710 0.79 PTGS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL207179 0.79 GAA (0.62) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9035771 0.79 PTGS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18415450 0.79 MEN1 (0.58) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8533124 0.78 GAA (0.60) PTGS2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL8410665 0.78 GAA (0.65) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6929324 0.78 GAA (0.60) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12473173 0.78 PTGS2 (0.61) PTGS2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 PTGS2 261/4885TUBB4A 714/4885TUBB 1078/4885

“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.