SCHEMBL86394

SCHEMBL86394

O=C(O)Cc1ccc2c(c1)CSc1ccccc1C2=O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.81
NOTUM Q6P988 1/20 0.45
MAPK14 Q16539 1/20 0.41
PARK7 Q99497 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Tiopinac SCHEMBL38905 0.90 AKR1B1 (1.00) AKR1B1NOTUMMAPK14PARK7
SCHEMBL86350 0.90 AKR1B1 (0.77) AKR1B1NOTUMMAPK14MAPTSMN1; SMN2
SCHEMBL38906 0.87 AKR1B1 (0.81) AKR1B1NOTUMMAPK14
Tiopinac SCHEMBL11569336 0.83 AKR1B1 (0.86) AKR1B1MAPK14PARK7
SCHEMBL11569516 0.82 AKR1B1 (0.73) AKR1B1MAPT
SCHEMBL11871739 0.81 AKR1B1 (0.61) AKR1B1MAPTSMN1; SMN2
SCHEMBL11876169 0.81 AKR1B1 (0.61) AKR1B1MAPT
SCHEMBL11568863 0.80 AKR1B1 (0.70) AKR1B1
SCHEMBL11088738 0.79 AKR1B1 (0.74) AKR1B1MAPK14PARK7
SCHEMBL16091078 0.79 AKR1B1 (0.67) AKR1B1PARK7

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 3865/4885MAPK14 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.