SCHEMBL17863545

SCHEMBL17863545

C=C1C2CC=CCC2C(=O)N1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 8/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL12308314 0.86 NPSR1 (0.46) SMN1; SMN2NPSR1ALDH1A1TSHRLMNA
SCHEMBL17863555 0.75 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2ACYP3A4HPGD
SCHEMBL11798570 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL14727214 0.70 ALDH1A1 (0.41) SMN1; SMN2NPSR1ALDH1A1TSHRLMNA
SCHEMBL17532424 0.69 ALDH1A1 (0.45) SMN1; SMN2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL676110 0.66 NPSR1 (0.50) SMN1; SMN2NPSR1ALDH1A1TSHRLMNA
SCHEMBL2661927 0.66 NPSR1 (0.50) SMN1; SMN2NPSR1ALDH1A1TSHRLMNA
SCHEMBL13684329 0.66 CYP19A1 (0.33) SMN1; SMN2ALDH1A1KMT2AHPGDMAPT
SCHEMBL17736731 0.66 CYP19A1 (0.33) SMN1; SMN2ALDH1A1KMT2AHPGDMAPT
SCHEMBL1146669 0.66 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRLMNAHTT

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-20160175829-A1 CATALYST SYSTEMS FOR USE IN CONTINUOUS FLOW REACTORS AND METHODS OF MANUFACTURE AND USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-06-23 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-20160175829-A1 CATALYST SYSTEMS FOR USE IN CONTINUOUS FLOW REACTORS AND METHODS OF MANUFACTURE AND USE THEREOF TKFC, F2, PICALM SMN1; SMN2 2053/4885NPSR1 3615/4885ALDH1A1 1909/4885

“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.