SCHEMBL6092819

SCHEMBL6092819

CC(=O)SCCc1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MCL1 Q07820 1/20 0.43
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 3/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL6882189 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1TDP1SMN1; SMN2HDAC1
SCHEMBL7188310 0.78 TAAR1 (0.47) CYP3A4NPC1RAB9AKMT2AMEN1
SCHEMBL978161 0.78 TAAR1 (0.47) ALDH1A1TSHRCYP3A4NPC1RAB9A
SCHEMBL10964509 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRCYP3A4TDP1
SCHEMBL8136098 0.76 ALDH1A1 (0.59) ALDH1A1MAPK1TSHRCYP3A4TDP1
SCHEMBL4267757 0.75 NPC1 (0.40) ALDH1A1CYP3A4MAPTNPC1RAB9A
SCHEMBL29384271 0.74 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4MAPTNPC1
SCHEMBL8732450 0.74 MAOA (0.47) ALDH1A1TSHRMAPTRAB9AKMT2A
SCHEMBL4405018 0.73 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRCYP3A4TDP1
SCHEMBL22388303 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRCYP3A4TDP1

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-20060199857-A1 Therapeutic agents ASTRAZENECA UK LIMITED (GB) 2006-09-07 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-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 ALDH1A1 1468/4885MAPK1 1590/4885TSHR 1836/4885

“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.