SCHEMBL19193136

SCHEMBL19193136

CC(C)(C)C(=O)OCc1cc2ccccc2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.44
MAOB P27338 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 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
SCHEMBL19193445 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EGLAHTTMAOB
SCHEMBL19193170 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGLAHTTMAOB
SCHEMBL5583377 0.83 MAOB (0.57) ALDH1A1HTTMAOBNPSR1SMN1; SMN2
SCHEMBL19193109 0.82 SNCA (0.54) ALDH1A1KDM4EGLAHTTSMN1; SMN2
SCHEMBL19193210 0.80 KDM4E (0.38) ALDH1A1KDM4EGLAHTTSMN1; SMN2
SCHEMBL13839051 0.80 RAB9A (0.51) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL19193261 0.79 GPR35 (0.38) ALDH1A1KDM4EGLAHTTSMN1; SMN2
SCHEMBL19193185 0.79 GPR35 (0.38) ALDH1A1KDM4EGLAHTTSMN1; SMN2
SCHEMBL19193104 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EGLAHTTMAOB
SCHEMBL19193342 0.78 GPR35 (0.42) ALDH1A1KDM4EGLAHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 ALDH1A1 869/4885KDM4E 2111/4885GLA 139/4885

“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.