SCHEMBL10030789

SCHEMBL10030789

COc1ccc(CCc2cc(CO)c(CO)c(OC)c2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ CYP19A1 P11511 2/20 0.48
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 0.44
▸ TUBB8 Q3ZCM7 2/20 0.44
▸ TUBA3E Q6PEY2 2/20 0.44
▸ TUBA1A Q71U36 2/20 0.44
▸ TUBA1C Q9BQE3 2/20 0.44
▸ TUBB6 Q9BUF5 2/20 0.44
▸ TUBB2B Q9BVA1 2/20 0.44
▸ TUBB1 Q9H4B7 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42

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
SCHEMBL10030783 0.91 CALM1 (0.50) GAACYP19A1TUBB4ATUBBTUBA3C
SCHEMBL10030787 0.84 TUBB4A (0.64) GAACYP19A1TUBB4ATUBBTUBA3C
SCHEMBL17145770 0.81 TUBB4A (0.46) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17145764 0.80 PTGES (0.41) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31090146 0.80 GAA (0.77) GAACYP19A1TUBB4ATUBBTUBA3C
SCHEMBL10030780 0.79 TUBB4A (0.53) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4967750 0.77 CYP19A1 (0.70) GAACYP19A1TUBB4ATUBBTUBA3C
SCHEMBL687841 0.77 GAA (0.67) GAACYP19A1TUBB4ATUBBTUBA3C
SCHEMBL2888639 0.77 GAA (0.71) GAACYP19A1KDM4EATMTSHR
SCHEMBL14666158 0.77 MAPT (0.50) KDM4ETSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof Zhejiang Wild Wind Pharmaceutical Co., Ltd. (CN) 2012-02-23 — — 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-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof TUBB1, TUBB, TUBB3 GAA 1550/4885CYP19A1 1829/4885TUBB4A 6/4885

“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.

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