SCHEMBL6281075

SCHEMBL6281075

BrCCCCCSc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
PTGS2 P35354 2/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B3 P37058 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL6282242 0.98 FBP1 (0.45) FBP1PTGS2NPC1RAB9AHPGD
SCHEMBL3777146 0.92 FBP1 (0.46) FBP1PTGS2NPC1RAB9AHPGD
SCHEMBL621756 0.84
SCHEMBL28390983 0.81 FBP1 (0.43) FBP1PTGS2HPGDMAPTALDH1A1
SCHEMBL20669518 0.81 FBP1 (0.43) FBP1PTGS2HPGDMAPTALDH1A1
SCHEMBL6277977 0.81 CA2 (0.44) FBP1NPC1RAB9AHPGDMAPT
SCHEMBL27916875 0.81 FBP1 (0.43) FBP1PTGS2HPGDMAPTALDH1A1
SCHEMBL5315566 0.81 FBP1 (0.43) FBP1PTGS2HPGDMAPTALDH1A1
SCHEMBL17372958 0.81 FBP1 (0.43) FBP1PTGS2HPGDMAPTALDH1A1
SCHEMBL6285444 0.81 CA2 (0.44) FBP1NPC1RAB9AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861496-B2 Polyhydroxyalkonoate and method of producing same, and ω-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2005-03-01 US disclosed
US-6855472-B2 POLYHYDROXYALKANOATE, PRODUCING METHOD THEREFOR, CHARGE CONTROL AGENT CONTAINING SUCH POLYHYDROXYALKANOATE, TONER CONTAINING SUCH CONTROL AGENT AND IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS UTILIZING SUCH TONER CANON KABUSHIKI KAISHA (JP) 2005-02-15 US disclosed
EP-1236754-B1 Polyhydroxyalkanoate and method of producing the same, and omega-(2-thienylsulfanyl)alkanoic acid and method of producing the same CANON KK (JP) 2004-04-28 EP disclosed
US-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA 2004-04-01 US disclosed
EP-1254918-B1 Novel polyhydroxyalkanoate, producing method therefor, charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KK (JP) 2004-03-31 EP disclosed
US-6686439-B2 POLYHYDROXYALKANOATE FOR USE IN CULTURING MICROORGANISMS CANON KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030073804-A1 Polyhydroxyalkanoate, producing method therefor charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2003-04-17 US disclosed
US-20020164726-A1 Polyhydroxyalkanoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-11-07 US disclosed
EP-1254918-A2 Novel polyhydroxyalkanoate, producing method therefor, charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2002-11-06 EP disclosed
EP-1236754-A2 Polyhydroxyalkanoate and method of producing same, and omega-(2-thienylsulfanyl) alkanoic acid and method of producing same CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP 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-20040062811-A1 Polyhydroxyalkonoate and method of producing same, and w-(2-thienylsulfanyl) alkanoic acid and method of producing same HACL2, PAH, TST FBP1 1071/4885PTGS2 467/4885NPC1 4038/4885

“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.