SCHEMBL86191

SCHEMBL86191

Cc1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
AKR1B1 P15121 1/20 0.46
METAP1 P53582 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ACHE P22303 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B3 P37058 1/20 0.41
EPHX2 P34913 1/20 0.41
MIF P14174 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
SCHEMBL11873711 0.88 ELANE (0.51) ELANEAKR1B1ALDH1A1SMN1; SMN2ACHE
SCHEMBL86279 0.81 ACHE (0.59) AKR1B1ALDH1A1SMN1; SMN2ACHEMAPK14
SCHEMBL31510701 0.81 ACHE (0.59) AKR1B1ALDH1A1SMN1; SMN2ACHEMAPK14
SCHEMBL31123671 0.81 ACHE (0.59) AKR1B1ALDH1A1SMN1; SMN2ACHEMAPK14
SCHEMBL13871237 0.81 NPC1 (0.51) AKR1B1ALDH1A1SMN1; SMN2ACHEMAPK14
SCHEMBL86282 0.81 AKR1B1 (0.46) AKR1B1ACHEMAPK14MAPTNOTUM
SCHEMBL86749 0.81 MAOB (0.54) AKR1B1ACHEMAPK14MEN1KMT2A
SCHEMBL86333 0.81 AKR1B1 (0.46) AKR1B1ALDH1A1SMN1; SMN2ACHEMAPK14
SCHEMBL86330 0.81 TDP1 (0.59) AKR1B1METAP1ACHEMAPK14MAPT
SCHEMBL86298 0.81 MMP12 (0.47) METAP1SMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
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 ELANE 625/4885AKR1B1 1704/4885METAP1 4404/4885

“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.