SCHEMBL21559965

SCHEMBL21559965

CSCC(C)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.36
PDK1 Q15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTR7 P34969 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HRH1 P35367 3/20 0.33
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CTSA P10619 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21408583 0.80 POLB (0.35) FBP1KDM4ELMNAALDH1A1CTSA
SCHEMBL21408584 0.80 POLB (0.35) FBP1KDM4ELMNAALDH1A1CTSA
SCHEMBL4312352 0.79
SCHEMBL1532491 0.79
SCHEMBL23120113 0.79 FBP1 (0.38) FBP1KDM4ELMNAHTR7MAPKAPK2
SCHEMBL28473201 0.78 KDM4E (0.33) FBP1KDM4ELMNAALDH1A1CTSA
SCHEMBL5761045 0.78
SCHEMBL5475949 0.78
SCHEMBL1687706 0.76 KDM4E (0.36) FBP1KDM4ELMNAMAPKAPK2HRH1
SCHEMBL21538736 0.75

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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2019-11-14 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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 FBP1 4167/4885PDK1 4003/4885KDM4E 4277/4885

“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.