SCHEMBL91640

SCHEMBL91640

O=C1c2ccccc2CSc2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.51
ELOC Q15369 1/20 0.51
ELOB Q15370 1/20 0.51
MAPK14 Q16539 2/20 0.49
AKR1B1 P15121 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MMP12 P39900 1/20 0.47
MAOB P27338 1/20 0.47
S100A4 P26447 1/20 0.46
HSD17B3 P37058 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL86749 0.88 MAOB (0.54) VHLELOCELOBMAPK14AKR1B1
SCHEMBL31510701 0.81 ACHE (0.59) MAPK14AKR1B1HPGDL3MBTL1ACHE
SCHEMBL31123671 0.81 ACHE (0.59) MAPK14AKR1B1HPGDL3MBTL1ACHE
SCHEMBL86279 0.81 ACHE (0.59) MAPK14AKR1B1HPGDL3MBTL1ACHE
SCHEMBL86390 0.81 AKR1B1 (0.49) MAPK14AKR1B1L3MBTL1ACHEMAOB
SCHEMBL9044156 0.81 TDP1 (0.59) MAPK14AKR1B1L3MBTL1MAPTACHE
SCHEMBL85994 0.81 AKR1B1 (0.49) MAPK14AKR1B1MAPTACHEHSD17B3
SCHEMBL11873711 0.81 ELANE (0.51) MAPK14AKR1B1HPGDMAPTACHE
SCHEMBL7243476 0.81 ALDH1A1 (0.54) MAPK14AKR1B1L3MBTL1MAPTACHE
SCHEMBL86298 0.81 MMP12 (0.47) VHLELOCELOBMAPTKDM4E

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-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
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-4237296-A BRONCHO-SPASMOLYTIC ACTIVITY IN ANIMALS SANDOZ LTD. (CH) 1980-12-02 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 VHL 3930/4885ELOC 3228/4885ELOB 895/4885

“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.