SCHEMBL6156770

SCHEMBL6156770

C/C=C/[CH]c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.47
XDH P47989 2/20 0.46
CA12 O43570 1/20 0.46
CYP19A1 P11511 2/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ERN1 O75460 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9622795 0.84 SOS1 (0.61) SOS1MAPTNPSR1CYP19A1MAOB
SCHEMBL9622793 0.84 SOS1 (0.61) SOS1MAPTNPSR1CYP19A1MAOB
SCHEMBL3846864 0.83 SOS1 (0.65) SOS1MAPTNPSR1CYP19A1MAOB
SCHEMBL3846862 0.83 SOS1 (0.65) SOS1MAPTNPSR1CYP19A1MAOB
SCHEMBL7516374 0.81 MAPT (0.61) SOS1MAPTNPSR1HSD17B10CYP19A1
SCHEMBL415690 0.81 MAPT (0.61) SOS1MAPTNPSR1HSD17B10CYP19A1
SCHEMBL7527194 0.81 MAPT (0.61) SOS1MAPTNPSR1HSD17B10CYP19A1
SCHEMBL34722 0.80 MAPT (0.55) SOS1MAPTNPSR1HSD17B10XDH
2-Nitrobenzaldehyde SCHEMBL3323403 0.77 ERN1 (0.59) SOS1MAPTNPSR1HSD17B10XDH
SCHEMBL11217880 0.77 MAPT (0.51) SOS1MAPTNPSR1HSD17B10XDH

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
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA SOS1 3838/4885MAPT 4496/4885NPSR1 3487/4885

“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.