SCHEMBL12062811

SCHEMBL12062811

CCOC(=O)C(C)c1ccc(N=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PIN1 Q13526 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
SCHEMBL464579 0.82 HPGD (0.48) KMT2AALDH1A1HPGDTDP1PTGS2
SCHEMBL28168611 0.82 CYP3A4 (0.41) KMT2AALDH1A1GAAHPGDTSHR
SCHEMBL3279844 0.82 KMT2A (0.47) KMT2AALDH1A1GAATSHRMEN1
SCHEMBL27646418 0.81 MMP8 (0.36) KMT2AALDH1A1TSHRMEN1TDP1
SCHEMBL9235662 0.80 ESR1 (0.53) KMT2AALDH1A1GAATSHRTDP1
SCHEMBL1792502 0.80 ESR1 (0.53) KMT2AALDH1A1GAATSHRTDP1
SCHEMBL9232941 0.80 ESR1 (0.53) KMT2AALDH1A1GAATSHRTDP1
SCHEMBL13631372 0.79 PTGS2 (0.41) KMT2ATSHRMEN1TDP1PTGS2
SCHEMBL1625348 0.79 LMNA (0.55) KMT2AALDH1A1GAATSHRMEN1
SCHEMBL7796149 0.79 PSEN1 (0.50) ALDH1A1GAATSHRTDP1PTGS2

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-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 — — US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 — — 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 KMT2A 4539/4885ALDH1A1 1590/4885GAA 1817/4885

“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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