SCHEMBL12423162

SCHEMBL12423162

COCCOCCOCCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OCCOCCOCCOC)cc4)ccn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
APP P05067 1/20 0.46
AHR P35869 1/20 0.43
CHRNA7 P36544 7/20 0.42
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNA10 Q9GZZ6 3/20 0.41
CHRNA9 Q9UGM1 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 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

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
SCHEMBL10069015 0.85 APP (0.58) APPAHRCHRNA7CHRNB4CHRNA3
SCHEMBL20024696 0.80 AHR (0.56) APPAHRCHRNA7CHRNB4CHRNA3
SCHEMBL15355647 0.79 APP (0.52) APPAHRCHRNA7CHRNB4CHRNA3
SCHEMBL1681729 0.79 AHR (0.55) APPAHRCHRNA7CHRNA10CHRNA9
SCHEMBL1681730 0.79 AHR (0.55) APPAHRCHRNA7CHRNA10CHRNA9
SCHEMBL29669212 0.79 AHR (0.55) APPAHRCHRNA7CHRNA10CHRNA9
SCHEMBL29905756 0.79 CYP1A2 (0.65) KDM1AHDAC1HDAC6AHRTUBB4A
SCHEMBL30950694 0.79 CCR1 (0.55) APPMAOAKDM4ERECQL
SCHEMBL8498262 0.79 CCR1 (0.55) APPMAOAKDM4ERECQL
SCHEMBL19142219 0.78 APP (0.55) APPAHRCHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440843-B2 2, 2-bipyridine ligand, sensitizing dye and dye sensitized solar cell ECOLE POLYTECHNIQUE FéDéRALE DE LAUSANNE (CH) 2013-05-14 US disclosed
US-20110190501-A1 2, 2-Bipyridine ligand, sensitizing dye and dye sensitized solar cell Ecole polytechnique fédérale de Lausanne (EPFL) 2011-08-04 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-20110190501-A1 2, 2-Bipyridine ligand, sensitizing dye and dye sensitized solar cell SUN2, CD4, KMO KDM1A 1759/4885HDAC1 4342/4885HDAC6 4872/4885

“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.