SCHEMBL19929693

SCHEMBL19929693

CC#CC#Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
OPRK1 P41145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40

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
SCHEMBL9843191 0.88 ALDH1A1 (0.52) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL9114032 0.86 ALDH1A1 (0.69) CASP3SENP8SENP7SENP6ALDH1A1
Ammonia Solution, Strong SCHEMBL27781073 0.86 ALDH1A1 (0.50) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL14664048 0.83 CASP3 (0.63) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10625626 0.82 MAPT (0.60) CASP3SENP8SENP7SENP6ALDH1A1
Dimethylamine SCHEMBL10626468 0.82 ALDH1A1 (0.54) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL5959613 0.78 ALDH1A1 (0.75) CASP3SENP8SENP7SENP6ALDH1A1
Diethylamine SCHEMBL27944587 0.77 MAPT (0.50) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL12207815 0.76 CASP3 (0.49) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10625611 0.75 CASP3 (0.51) CASP3SENP8SENP7SENP6ALDH1A1

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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 CASP3 2320/4885SENP8 3842/4885SENP7 2736/4885

“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.