SCHEMBL10030781

SCHEMBL10030781

CCOc1ccc(CCc2cc(CO)c(CO)c(OC)c2)cc1OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.49
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ APP P05067 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 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
SCHEMBL16661551 0.83 CALM1 (0.56) CALM1HDAC1HDAC2LMNAKMT2A
SCHEMBL10030780 0.82 TUBB4A (0.53) CALM1LMNAKMT2ATUBB4ATUBB
SCHEMBL10030783 0.81 CALM1 (0.50) CALM1MAPTTUBB4ATUBBTUBA3C
SCHEMBL10030792 0.81 TUBB1 (0.47) LMNAMAPTKMT2ATUBB4ATUBB
SCHEMBL10030787 0.76 TUBB4A (0.64) LMNAKMT2ATUBB4ATUBBTUBA3C
SCHEMBL10030789 0.74 GAA (0.51) CALM1LMNAKMT2ATUBB4ATUBB
SCHEMBL13991618 0.74 TUBB4A (0.61) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10030785 0.74 CALM1 (0.40) CALM1HDAC1HDAC2KMT2ATSHR
SCHEMBL13778143 0.72 CYP1A1 (0.46) APPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17145748 0.72 MMP2 (0.44) APPTUBB4ATUBBTUBA3CTUBA1B

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 CALM1 3394/4885HDAC1 2376/4885HDAC2 2967/4885

“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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