SCHEMBL811004

SCHEMBL811004

Cc1cc2ccc(F)cc2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2A6 P11509 3/20 0.56
BACE1 P56817 1/20 0.40
CYP1A1 P04798 1/20 0.40
ACHE P22303 2/20 0.39
ABL1 P00519 1/20 0.39
AHR P35869 2/20 0.38
MAPK14 Q16539 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL20967265 0.88 CYP1A2 (0.50) CYP1A2CYP2A6BACE1CYP1A1ACHE
SCHEMBL8141016 0.88 CYP1A2 (0.50) CYP1A2CYP2A6BACE1CYP1A1ACHE
SCHEMBL8149328 0.84 CYP1A1 (0.49) CYP1A2CYP2A6BACE1CYP1A1ABL1
SCHEMBL8150199 0.84 CYP1A2 (0.46) CYP1A2CYP2A6BACE1CYP1A1CA3
SCHEMBL8141581 0.84 CYP1A1 (0.49) CYP1A2CYP2A6BACE1CYP1A1ABL1
SCHEMBL8154108 0.84 CYP1A2 (0.46) CYP1A2CYP2A6BACE1CYP1A1CA3
SCHEMBL11303205 0.83 CYP1A2 (0.68) CYP1A2CYP2A6BACE1AHRL3MBTL1
SCHEMBL3828830 0.83 CYP1A2 (0.68) CYP1A2CYP2A6BACE1AHRL3MBTL1
SCHEMBL6562601 0.83 CYP1A2 (0.77) CYP1A2CYP2A6BACE1AHRL3MBTL1
SCHEMBL30366405 0.83 CYP1A2 (0.77) CYP1A2CYP2A6BACE1AHRL3MBTL1

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 CYP1A2 86/4885CYP2A6 1084/4885BACE1 399/4885

“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.