SCHEMBL811100

SCHEMBL811100

COc1cc2cc(C)c(C)cc2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ACHE P22303 2/20 0.46
MAPT P10636 4/20 0.43
CYP3A4 P08684 1/20 0.43
EHMT2 Q96KQ7 1/20 0.41
NQO2 P16083 5/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL811025 0.97 ALDH1A1 (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL15317151 0.92 PDE4A (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11496731 0.87 ALDH1A1 (0.63) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2138144 0.84 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL27765191 0.84 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1912056 0.84 ACHE (0.52) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14579656 0.81 TNFSF11 (0.61) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6012957 0.77 TSHR (0.41) ALDH1A1ACHEMAPTCYP3A4NQO2
SCHEMBL30587865 0.77 TSHR (0.41) ALDH1A1ACHEMAPTCYP3A4NQO2
SCHEMBL17752819 0.76 ALDH1A1 (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D

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 ALDH1A1 946/4885PDE4A 4079/4885PDE4B 3862/4885

“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.