SCHEMBL811007

SCHEMBL811007

Cc1cc2ccc(C#N)cc2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CYP17A1 P05093 1/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL811121 0.98 CYP11B1 (0.50) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL13074509 0.85 CYP2A6 (0.50) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL29489119 0.85 CYP2A6 (0.54) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL1344485 0.85 CYP2A6 (0.54) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL1341822 0.83 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL29489123 0.83 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL1104942 0.83 CYP2A6 (0.54) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL806471 0.82 CYP2A6 (0.59) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL6924028 0.80 CYP2A6 (0.61) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2
SCHEMBL2761110 0.79 CA1 (0.57) CYP11B1CYP11B2CYP2A6ALDH1A1IMPDH2

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 8 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

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 CYP11B1 465/4885CYP11B2 602/4885CYP2A6 1084/4885

“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.