SCHEMBL13342923

SCHEMBL13342923

CCOC(=O)CN(CC(=O)OCC)C(=O)Oc1ccc(Cl)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL13342988 0.86 SMN1; SMN2 (0.48) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL13342926 0.85 NPSR1 (0.50) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL13342902 0.84 LMNA (0.55) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL13342858 0.78 GAA (0.56) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL4089116 0.78 SMN1; SMN2 (0.52) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL13342911 0.76 LMNA (0.55) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL3834865 0.76 CYP1A2 (0.56) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL9799902 0.76 CYP1A2 (0.56) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL5416139 0.76 CYP1A2 (0.68) CYP1A2CYP2C9HIF1ASMN1; SMN2MAPT
SCHEMBL6101191 0.75 TMPRSS4 (0.53) CYP1A2CYP2C9MAPTGAAMEN1

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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 CYP1A2 855/4885CYP2C9 3114/4885HIF1A 808/4885

“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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