SCHEMBL6027322

SCHEMBL6027322

O=C(O[N+]1(O)C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SRD5A2 P31213 2/20 0.44
LMNA P02545 3/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 4/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2356951 0.93 LMNA (0.47) ALDH1A1LMNAF2TDP1KMT2A
SCHEMBL3111481 0.76 CA1 (0.43) ALDH1A1LMNAF2TDP1KMT2A
SCHEMBL1177857 0.75 CA2 (0.49)
SCHEMBL10708901 0.73 ALDH1A1 (0.64) ALDH1A1SRD5A2LMNAF2ELANE
SCHEMBL2363364 0.71 CES2 (0.44) ALDH1A1LMNAL3MBTL1TDP1KMT2A
SCHEMBL2362643 0.71 SMN1; SMN2 (0.46) ALDH1A1LMNAL3MBTL1KMT2ARAB9A
SCHEMBL6937807 0.70 ALDH1A1 (0.67) ALDH1A1SRD5A2LMNAF2ELANE
SCHEMBL6937804 0.70 ALDH1A1 (0.67) ALDH1A1SRD5A2LMNAF2ELANE
Benzophenone SCHEMBL9704194 0.70 ALDH1A1 (0.67) ALDH1A1SRD5A2LMNAF2ELANE
SCHEMBL17747143 0.70 CA12 (0.44) ALDH1A1LMNAL3MBTL1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141394-B2 More stable analog of isopropyl thiogalactoside for induction of protein expression IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-11-28 US disclosed
US-20040224390-A1 More stable analog of isopropylthiogalactoside for induction of protein expression IOWA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2004-11-11 US disclosed
WO-2004094445-A1 A MORE STABLE ANALOG OF ISO-PROPYLTHIOGALACTOSIDE FOR INDUCTION OF PROTEIN EXPRESSION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2004-11-04 WO disclosed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 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-20040224390-A1 More stable analog of isopropylthiogalactoside for induction of protein expression PPIG, B3GAT3, PPIC ALDH1A1 3670/4885SRD5A2 4110/4885LMNA 1814/4885

“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.