SCHEMBL86351

SCHEMBL86351

O=C(O)c1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.55
AKR1B1 P15121 1/20 0.52
NOTUM Q6P988 1/20 0.51
PTPRC P08575 2/20 0.50
SRD5A2 P31213 2/20 0.48
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A1 P18405 1/20 0.44
CHEK1 O14757 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
TDP2 O95551 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL8880119 0.86 AKR1B1 (0.66) TTRAKR1B1NOTUMPTPRCSRD5A2
SCHEMBL86350 0.80 AKR1B1 (0.77) AKR1B1NOTUM
SCHEMBL31123671 0.78 ACHE (0.59) AKR1B1NOTUMKMT2ALMNAMIF
SCHEMBL86279 0.78 ACHE (0.59) AKR1B1NOTUMKMT2ALMNAMIF
SCHEMBL31510701 0.78 ACHE (0.59) AKR1B1NOTUMKMT2ALMNAMIF
SCHEMBL86282 0.78 AKR1B1 (0.46) AKR1B1NOTUMMIF
SCHEMBL13871237 0.78 NPC1 (0.51) AKR1B1NOTUMPTPRCPOLBKMT2A
SCHEMBL86333 0.78 AKR1B1 (0.46) AKR1B1NOTUMLMNATDP2MIF
SCHEMBL86330 0.78 TDP1 (0.59) AKR1B1NOTUMPTPRCMIF
SCHEMBL86191 0.78 ELANE (0.51) AKR1B1NOTUMKMT2AHTTMIF

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 5 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-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 TTR 4297/4885AKR1B1 1704/4885NOTUM 3865/4885

“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.