SCHEMBL4131228

SCHEMBL4131228

CC(=O)C(C(C)=O)[C@@H](C[N+](=O)[O-])c1ccccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CYP19A1 P11511 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CPA1 P15085 3/20 0.41
PPIA P62937 1/20 0.41
LIPE Q05469 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4126682 0.84 ALDH1A1 (0.49) CYP2C19CPA1MAPTTDP1L3MBTL1
SCHEMBL4111932 0.81 MAOB (0.53) L3MBTL1MRGPRX4SMN1; SMN2
SCHEMBL4125403 0.80 ALDH1A1 (0.60) CYP19A1CYP2C19MAPTMEN1KMT2A
SCHEMBL22831440 0.77 NPSR1 (0.50) CYP2C19CYP1A2CPA1MAPTKMT2A
SCHEMBL4120406 0.75 ALDH1A1 (0.45) CYP2C19MAPTMEN1KMT2ATDP1
SCHEMBL2628014 0.74 CPA1 (0.45) CYP2C19CYP3A4CPA1MAPTMEN1
SCHEMBL4111632 0.74 CPA1 (0.45) CYP2C19CYP3A4CPA1MAPTMEN1
SCHEMBL222290 0.73 NPSR1 (0.48) CYP2C19CPA1MAPTMEN1KMT2A
SCHEMBL222291 0.73 NPSR1 (0.48) CYP2C19CPA1MAPTMEN1KMT2A
SCHEMBL16785486 0.73 ALDH1A1 (0.64) CYP2C19MAPTTDP1L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 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-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 BRD4 3402/4885CYP19A1 121/4885SGMS2 2918/4885

“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.