SCHEMBL10030780

SCHEMBL10030780

CCOc1ccc(CCc2cc(CO)c(CO)c(OC)c2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.53
▸ TUBB P07437 3/20 0.53
▸ TUBA3C P0DPH7 3/20 0.53
▸ TUBA1B P68363 3/20 0.53
▸ TUBA4A P68366 3/20 0.53
▸ TUBB4B P68371 3/20 0.53
▸ TUBB3 Q13509 3/20 0.53
▸ TUBB2A Q13885 3/20 0.53
▸ TUBB8 Q3ZCM7 3/20 0.53
▸ TUBA3E Q6PEY2 3/20 0.53
▸ TUBA1A Q71U36 3/20 0.53
▸ TUBA1C Q9BQE3 3/20 0.53
▸ TUBB6 Q9BUF5 3/20 0.53
▸ TUBB2B Q9BVA1 3/20 0.53
▸ TUBB1 Q9H4B7 3/20 0.53
▸ CALM1 P0DP23 3/20 0.52
▸ AKR1B1 P15121 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 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
SCHEMBL10030787 0.91 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10030783 0.86 CALM1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10030781 0.82 CALM1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10030789 0.79 GAA (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13079742 0.77 TUBB1 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10030785 0.76 CALM1 (0.40) CALM1TSHRMEN1KMT2APDE4A
Phosphoric Acid SCHEMBL28537427 0.76 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Phosphoric Acid SCHEMBL28911323 0.75 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11022505 0.75 KDM4E (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17145770 0.74 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 6/4885TUBB 2/4885TUBA3C 21/4885

“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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