SCHEMBL811099

SCHEMBL811099

Cc1cc2ccc(Cl)cc2cc1C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.39
F11 P03951 1/20 0.39
AHR P35869 2/20 0.38
NR4A2 P43354 2/20 0.38
CMA1 P23946 1/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
LMNA P02545 1/20 0.36
NOS1 P29475 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
SCHEMBL8147513 0.84 CYP3A4 (0.59) CYP2A6CYP3A4POLBNR4A2TP53
SCHEMBL8149283 0.84 CYP2A6 (0.46) CYP2A6CYP3A4POLBCYP1A2TP53
SCHEMBL8149293 0.84 CYP2A6 (0.46) CYP2A6CYP3A4POLBCYP1A2TP53
SCHEMBL8148704 0.84 CYP2A6 (0.46) CYP2A6CYP3A4POLBCYP1A2F11
SCHEMBL8150232 0.84 CYP3A4 (0.59) CYP2A6CYP3A4POLBNR4A2TP53
SCHEMBL8289896 0.84 CYP2A6 (0.46) CYP2A6CYP3A4POLBCYP1A2F11
SCHEMBL8337554 0.84 CYP2A6 (0.46) CYP2A6CYP3A4POLBCYP1A2F11
SCHEMBL31665941 0.83 CYP2A6 (0.68) CYP2A6CYP3A4F11AHRNR4A2
SCHEMBL11302716 0.83 CYP2A6 (0.68) CYP2A6CYP3A4F11AHRNR4A2
SCHEMBL4288341 0.83 CYP2A6 (0.68) CYP2A6CYP3A4F11AHRNR4A2

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 14 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO disclosed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO 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 (2 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 CYP2A6 1084/4885CYP3A4 154/4885POLB 2724/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD CYP2A6 2113/4885CYP3A4 1311/4885POLB 2080/4885

“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.