SCHEMBL10030783

SCHEMBL10030783

CCOc1ccc(CCc2cc(CO)c(CO)c(OC)c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.50
▸ CREBBP Q92793 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 2/20 0.41

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
SCHEMBL10030789 0.91 GAA (0.51) CALM1CYP19A1GAATUBB4ATUBB
SCHEMBL10030780 0.86 TUBB4A (0.53) CALM1CYP19A1PDE4APDE4BPDE4C
SCHEMBL10030781 0.81 CALM1 (0.49) CALM1MAPTTP53TUBB4ATUBB
SCHEMBL10030787 0.79 TUBB4A (0.64) CYP19A1GAATUBB4ATUBBTUBA3C
SCHEMBL10030785 0.77 CALM1 (0.40) CALM1CREBBPPDE4APDE4BPDE4C
SCHEMBL10030791 0.77 TUBB1 (0.51) CYP19A1PDE4APDE4BPDE4CPDE4D
SCHEMBL17145770 0.76 TUBB4A (0.46) CYP19A1PDE4APDE4BPDE4CPDE4D
SCHEMBL17145764 0.75 PTGES (0.41) CYP19A1PDE4APDE4BPDE4CPDE4D
SCHEMBL13953696 0.72 PTGS2 (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14666158 0.72 MAPT (0.50) PDE4APDE4BPDE4CPDE4DPDE5A

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 3394/4885CREBBP 3512/4885CYP19A1 1829/4885

“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.

Send feedback