SCHEMBL362129

SCHEMBL362129

COC(=O)C/N=C/CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ASF1A Q9Y294 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL363977 0.79 CYP2D6 (0.34) CA7CA1CA2
SCHEMBL27522782 0.77
SCHEMBL29222989 0.75 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL18949697 0.75 TSHR (0.44) TSHRHSD17B10BCL2MCL1MGAM
SCHEMBL362705 0.72 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL7763439 0.72
SCHEMBL7763502 0.71 POLB (0.40) TSHRCA9CA12CA7CA14
SCHEMBL13870409 0.68
SCHEMBL10021638 0.67 CYP2C19 (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL13568635 0.66 CA1 (0.50) GAACA9ASF1AKDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007409-A1 N-SUBSTITUTED PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010235-A1 N-SUBSTITUTED PYRROLIDINES CHU XIN-JIE (US) 2012-01-12 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-20120010235-A1 N-SUBSTITUTED PYRROLIDINES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD1, TP53 TSHR 4020/4885HSD17B10 2833/4885BCL2 576/4885

“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.