SCHEMBL86336

SCHEMBL86336

COc1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
METAP1 P53582 2/20 0.49
MAPK14 Q16539 4/20 0.47
MAOB P27338 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RYR2 Q92736 1/20 0.45
MAOA P21397 1/20 0.44
HSD17B3 P37058 1/20 0.44
KDR P35968 2/20 0.44

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
SCHEMBL11481280 0.89 MAPT (0.57) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL86191 0.81 ELANE (0.51) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL31510701 0.78 ACHE (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL31123671 0.78 ACHE (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL86279 0.78 ACHE (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL86333 0.78 AKR1B1 (0.46) MAPTALDH1A1SMN1; SMN2TDP1MAPK14
SCHEMBL13871237 0.78 NPC1 (0.51) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL86282 0.78 AKR1B1 (0.46) MAPTTDP1MAPK14MAOBHSD17B3
SCHEMBL86330 0.78 TDP1 (0.59) MAPTTDP1METAP1MAPK14MAOB
SCHEMBL86749 0.78 MAOB (0.54) MAPTKDM4EGAAHPGDMAPK14

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 MAPT 2087/4885ALDH1A1 440/4885KDM4E 679/4885

“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.