SCHEMBL12567390

SCHEMBL12567390

C=Cc1ccc(/C=C/c2ccc(OCOC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
RELA Q04206 2/20 0.46
ESR1 P03372 2/20 0.45
AHR P35869 2/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PTPN1 P18031 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL409780 0.94 CHRNB4 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12567393 0.90 RELA (0.53) CHRNA7CHRNB4CHRNA3RELAESR1
SCHEMBL4693719 0.90 RELA (0.53) CHRNA7CHRNB4CHRNA3RELAESR1
SCHEMBL4693722 0.90 RELA (0.53) CHRNA7CHRNB4CHRNA3RELAESR1
SCHEMBL10071494 0.87 CHRNB4 (0.49) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10071499 0.85 CHRNB4 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10071497 0.85 CHRNB4 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL283100 0.82 TRPA1 (0.39) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9943378 0.82 ALDH1A1 (0.55) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12203894 0.81 ALDH1A1 (0.61) CHRNA7CHRNB4CHRNA3RELAESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964878-B2 Light emitting polymer devices using self-assembled monolayer structures HCF PARTNERS, LP (US) 2011-06-21 US disclosed
US-7964878-B2 Light emitting polymer devices using self-assembled monolayer structures HCF PARTNERS, LP (US) 2011-06-21 US disclosed
US-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures HCF PARTNERS, L.P. (US) 2010-06-03 US disclosed
US-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures HCF PARTNERS, L.P. (US) 2010-06-03 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-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures CLTB, CYBA, CLTA CHRNA7 444/4885CHRNB4 606/4885CHRNA3 360/4885

“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.