SCHEMBL14010976

SCHEMBL14010976

CC(Oc1ccc([N+](=O)[O-])cc1CN=[N+]=[N-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TTR P02766 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL13852147 0.87 CYP19A1 (0.47) ALDH1A1MEN1KMT2AHTR2ASMN1; SMN2
SCHEMBL14010975 0.85 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL14010977 0.83 LMNA (0.36) ALDH1A1KMT2ACYP2D6SMN1; SMN2MAPT
SCHEMBL14983016 0.80 TDP1 (0.50) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL15223409 0.80 TSHR (0.39) ALDH1A1KMT2ATSHRHTR2AHTR2C
SCHEMBL25407097 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2059439 0.75 TSHR (0.60) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL3586660 0.75 TTR (0.55) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL7824974 0.75 TTR (0.55) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2293667 0.74 KMT2A (0.61) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124813-B2 Method of producing 2-phenoxyacetals and the corresponding 2-phenoxy-carbaldehydes therefrom SALTIGO GMBH (DE) 2012-02-28 US disclosed
US-20100286449-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM SALTIGO GMBH (DE) 2010-11-11 US disclosed
WO-2009000651-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM SALTIGO GMBH (DE) 2008-12-31 WO 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-20100286449-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM CYP2B6, CYP2A6, UGT1A6 ALDH1A1 60/4885MEN1 3861/4885KMT2A 1601/4885

“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.