SCHEMBL810964

SCHEMBL810964

Cc1cc2cc(F)c(F)cc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
MBNL1 Q9NR56 1/20 0.33
RAPGEF4 Q8WZA2 3/20 0.32
NQO2 P16083 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PTGS2 P35354 2/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 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
SCHEMBL8405942 0.90 ACHE (0.35) ACHEMBNL1RAPGEF4NQO2CYP3A4
SCHEMBL15496493 0.87 ACHE (0.36) ACHEMBNL1RAPGEF4CYP1A2CYP2A6
SCHEMBL30867032 0.82 ACHE (0.42) ACHERAPGEF4NQO2CYP3A4TSHR
SCHEMBL5616902 0.82 ACHE (0.42) ACHERAPGEF4NQO2CYP3A4TSHR
SCHEMBL30587865 0.82 TSHR (0.41) ACHENQO2CYP3A4TSHRMAPK1
SCHEMBL6012957 0.82 TSHR (0.41) ACHENQO2CYP3A4TSHRMAPK1
SCHEMBL10710404 0.82 GPR84 (0.43) GPR84
SCHEMBL8912022 0.78 GPR84 (0.41) GPR84
SCHEMBL543927 0.78 TERT (0.41) ACHENQO2CYP3A4TSHRMAPK1
SCHEMBL30943509 0.78 TERT (0.41) ACHENQO2CYP3A4TSHRMAPK1

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
US-7884249-B2 oxidizing a diol derivative with an oxidizing agent such as osmium tetraoxide to form 6,13-ethanopentacene-6,13-dione CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-7884249-B2 oxidizing a diol derivative with an oxidizing agent such as osmium tetraoxide to form 6,13-ethanopentacene-6,13-dione CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed
US-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed
US-7601478-B2 Bicyclo compound, method for producing fused aromatic compound using the same and method for forming film of the same CANON KABUSHIKI KAISHA (JP) 2009-10-13 US disclosed
US-7601478-B2 Bicyclo compound, method for producing fused aromatic compound using the same and method for forming film of the same CANON KABUSHIKI KAISHA (JP) 2009-10-13 US disclosed
US-7588959-B2 Organic field effect transistor and method for producing the same CANON KABUSHIKI KAISHA (JP) 2009-09-15 US disclosed
US-7588959-B2 Organic field effect transistor and method for producing the same CANON KABUSHIKI KAISHA (JP) 2009-09-15 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND C9, C5, RNF168 ACHE 2064/4885GPR84 1747/4885MBNL1 4360/4885

“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.