SCHEMBL86021

SCHEMBL86021

C=CCOc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL15392144 0.85 MAPT (0.40) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL14556883 0.85 MAPT (0.45) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL4542129 0.84 MAPT (0.41) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL108341 0.82 MAPT (0.43) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL1615137 0.82 GPR84 (0.41) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL29353913 0.82 MAPT (0.43) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL13066138 0.82 MAPT (0.40) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL29428465 0.82 MAPT (0.43) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL16561528 0.81 MAPT (0.40) HPGDCYP3A4MAPTNPC1CYP1A2
SCHEMBL16434697 0.81 MAPT (0.40) HPGDCYP3A4MAPTNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0520574-B1 Thioxanthone derivatives LAMBSON FINE CHEMICALS LIMITED (GB) 2000-08-16 EP disclosed
US-5414092-A Photoinitiators INTERNATIONAL BIO-SYNTHETICS LIMITED (GB) 1995-05-09 US disclosed
EP-0520574-A1 Thioxanthone derivatives GREAT LAKES FINE CHEMICALS LIMITED (GB) 1992-12-30 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 HPGD 2563/4885CYP3A4 1905/4885CA12 1386/4885

“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.