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
SCHEMBL86350 0.90 AKR1B1 (0.77) AKR1B1NOTUMMAPK14MAPTSMN1; SMN2
Tiopinac SCHEMBL38905 0.90 AKR1B1 (1.00) AKR1B1NOTUMMAPK14PARK7
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.

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