SCHEMBL13863485

SCHEMBL13863485

C=C(C)C(=O)OCC(COc1ccc(C(C)(C)c2ccc(OCC(COC(=O)C(=C)C)OC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)cc1)OC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.48
▸ CYP19A1 P11511 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ GPR174 Q9BXC1 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADCY6 O43306 1/20 0.38
▸ ADCY3 O60266 1/20 0.38
▸ ADCY9 O60503 1/20 0.38
▸ ADCY5 O95622 1/20 0.38
▸ ADCY8 P40145 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ ADCY7 P51828 1/20 0.38
▸ ADCY2 Q08462 1/20 0.38
▸ ADCY1 Q08828 1/20 0.38
▸ ADCY4 Q8NFM4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 2/20 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
SCHEMBL13863505 0.85 AR (0.45) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1791934 0.82 AR (0.62) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13614175 0.81 AR (0.54) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13991656 0.80 AR (0.56) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13872067 0.80 LMNA (0.52) GPR174ALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL13017925 0.80 AR (0.47) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13207156 0.79 AR (0.52) ARGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4188595 0.79 MAPT (0.50) GAASMN1; SMN2NPC1LMNAMAPT
SCHEMBL4197511 0.79 MAPT (0.50) GAASMN1; SMN2NPC1LMNAMAPT
SCHEMBL13588367 0.78 AR (0.58) ARGAAALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858159-B2 Photocurable composition for sealant, liquid crystal sealant, and liquid crystal panel DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-12-28 — — US disclosed
US-20090131550-A1 PHOTOCURABLE COMPOSITION FOR SEALANT, LIQUID CRYSTAL SEALANT, AND LIQUID CRYSTAL PANEL DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-05-21 — — 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-20090131550-A1 PHOTOCURABLE COMPOSITION FOR SEALANT, LIQUID CRYSTAL SEALANT, AND LIQUID CRYSTAL PANEL TRPA1, ANXA1, ANXA11 AR 2060/4885CYP19A1 2004/4885MCHR1 695/4885

“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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