SCHEMBL13100671

SCHEMBL13100671

C/C=C/CSc1cccc(SCCCCCC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
HPGD P15428 6/20 0.34
GPR84 Q9NQS5 1/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13565701 0.80 CNR2 (0.31)
SCHEMBL1710821 0.72 MAOA (0.41) ALDH1A1SIGMAR1CYSLTR2CYSLTR1MEN1
SCHEMBL1710679 0.72 ALDH1A1 (0.36) ALDH1A1SIGMAR1CYSLTR2CYSLTR1HPGD
SCHEMBL11935187 0.71 DRD2 (0.33) ALDH1A1
SCHEMBL22337189 0.66 MAOA (0.43) ALDH1A1MEN1KMT2A
SCHEMBL21609713 0.66 MAOA (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8284593 0.66 ACHE (0.39) ALDH1A1KMT2A
SCHEMBL8649390 0.63 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2A
SCHEMBL8649391 0.63 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2A
SCHEMBL8530783 0.62 CYP1A2 (0.48) SIGMAR1HPGD

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
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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 (2 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885SIGMAR1 75/4885CYSLTR2 883/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885SIGMAR1 77/4885CYSLTR2 469/4885

“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.