SCHEMBL86390

SCHEMBL86390

O=C1c2ccccc2CSc2ccc(I)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
ACHE P22303 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAOA P21397 1/20 0.43
CES1 P23141 2/20 0.39
NOTUM Q6P988 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S100A4 P26447 1/20 0.37
BCHE P06276 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL86333 0.88 AKR1B1 (0.46) AKR1B1ACHEMAPK14MAOANOTUM
SCHEMBL31510701 0.81 ACHE (0.59) AKR1B1ACHEMAPK14MAOACES1
SCHEMBL31123671 0.81 ACHE (0.59) AKR1B1ACHEMAPK14MAOACES1
SCHEMBL86279 0.81 ACHE (0.59) AKR1B1ACHEMAPK14MAOACES1
SCHEMBL11873711 0.81 ELANE (0.51) AKR1B1ACHEMAPK14MAOATDP1
SCHEMBL9044156 0.81 TDP1 (0.59) AKR1B1ACHEMAPK14MAOACES1
SCHEMBL85994 0.81 AKR1B1 (0.49) AKR1B1ACHEMAPK14MAOACES1
SCHEMBL7243476 0.81 ALDH1A1 (0.54) AKR1B1ACHEMAPK14MAOANOTUM
SCHEMBL91640 0.81 VHL (0.51) AKR1B1ACHEMAPK14MAOAL3MBTL1
SCHEMBL11481280 0.78 MAPT (0.57) AKR1B1ACHEMAPK14MAOATDP1

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-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 AKR1B1 1704/4885ACHE 911/4885MAPK14 1349/4885

“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.