SCHEMBL85994

SCHEMBL85994

O=C1c2ccccc2CSc2ccc(F)cc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
NOTUM Q6P988 2/20 0.48
AURKA O14965 1/20 0.48
CHEK2 O96017 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
CSNK2A1 P68400 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
ACHE P22303 1/20 0.47
MAPK14 Q16539 4/20 0.46
HSD17B3 P37058 1/20 0.43
MAOA P21397 1/20 0.43
MAPT P10636 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL86282 0.88 AKR1B1 (0.46) AKR1B1NOTUMAURKACHEK2CDK1
SCHEMBL13870605 0.84 AKR1B1 (0.49) AKR1B1NOTUMAURKACHEK2CDK1
SCHEMBL86279 0.81 ACHE (0.59) AKR1B1NOTUMACHEMAPK14MAOA
SCHEMBL31123671 0.81 ACHE (0.59) AKR1B1NOTUMACHEMAPK14MAOA
SCHEMBL31510701 0.81 ACHE (0.59) AKR1B1NOTUMACHEMAPK14MAOA
SCHEMBL9044156 0.81 TDP1 (0.59) AKR1B1NOTUMACHEMAPK14HSD17B3
SCHEMBL7243476 0.81 ALDH1A1 (0.54) AKR1B1NOTUMACHEMAPK14HSD17B3
SCHEMBL86390 0.81 AKR1B1 (0.49) AKR1B1NOTUMACHEMAPK14MAOA
SCHEMBL11873711 0.81 ELANE (0.51) AKR1B1ACHEMAPK14HSD17B3MAOA
SCHEMBL91640 0.81 VHL (0.51) AKR1B1ACHEMAPK14HSD17B3MAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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 1704/4885NOTUM 3865/4885AURKA 2436/4885

“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.