SCHEMBL4255102

SCHEMBL4255102

O=C(O)/C(=C/C1CCCC1)c1ccc(SC2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
AKR1C3 P42330 3/20 0.34
AKR1C1 Q04828 3/20 0.34
AKR1C2 P52895 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KMT2A Q03164 1/20 0.33
GRIK2 Q13002 1/20 0.31
C3AR1 Q16581 1/20 0.30
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL4255105 1.00 GRIK1 (0.37) GRIK1MAOAMAOBAKR1C3AKR1C1
SCHEMBL2654404 0.84 AKR1C3 (0.50) AKR1C3AKR1C1AKR1C2KMT2AHAO1
SCHEMBL2654402 0.84 AKR1C3 (0.50) AKR1C3AKR1C1AKR1C2KMT2AHAO1
SCHEMBL2652741 0.82 AKR1C3 (0.49) AKR1C3AKR1C1AKR1C2KMT2AHAO1
SCHEMBL2652745 0.82 AKR1C3 (0.49) AKR1C3AKR1C1AKR1C2KMT2AHAO1
SCHEMBL4265493 0.80 RAB9A (0.37) MAOAMAOBKMT2A
SCHEMBL4265499 0.80 RAB9A (0.37) MAOAMAOBKMT2A
SCHEMBL2652614 0.80 DDB1 (0.39) DDB1CRBNKMT2A
SCHEMBL2652611 0.80 DDB1 (0.39) DDB1CRBNKMT2A
SCHEMBL4257859 0.79 NPC1 (0.33) GRIK1AKR1C3AKR1C1AKR1C2KMT2A

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-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
EP-1921074-A1 THIAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2008-05-14 EP 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-20090281142-A1 THIAZOLE DERIVATIVE GK, GCKR, AK2 GRIK1 140/4885MAOA 3675/4885MAOB 3981/4885

“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.