SCHEMBL1897693

SCHEMBL1897693

CCCCCCCCSc1ccc(C#N)c(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.64
MAOB P27338 11/20 0.59
MAOA P21397 9/20 0.59
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 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
SCHEMBL1325521 1.00 AR (0.64) ARMAOBMAOAALDH1A1HPGD
SCHEMBL1325395 1.00 AR (0.64) ARMAOBMAOAALDH1A1HPGD
SCHEMBL13811418 0.86 AR (0.71) ARMAOBMAOAKDM4EGAA
SCHEMBL2552925 0.81 TSHR (0.50) ARMAOBMAOAALDH1A1HPGD
SCHEMBL2557627 0.81 TSHR (0.50) ARMAOBMAOAALDH1A1HPGD
SCHEMBL8565067 0.81 TSHR (0.50) ARMAOBMAOAALDH1A1HPGD
SCHEMBL8569987 0.81 TSHR (0.50) ARMAOBMAOAALDH1A1HPGD
SCHEMBL2550694 0.81 TSHR (0.50) ARMAOBMAOAALDH1A1HPGD
SCHEMBL8955587 0.80 AR (0.64) ARMAOBMAOAALDH1A1KDM4E
SCHEMBL2979985 0.79 KDM4E (0.54) ARMAOBMAOAALDH1A1HPGD

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-7947826-B2 Phthalocyanine compound based-organic semiconductor FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20080210128-A1 Optical Layer including mu-oxo-bridged boron-subphthalocyanine dimer ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-04 US disclosed
EP-1964892-A2 Optical layer including µ-oxo-bridged boron-subphthalocyanine dimer Orient Chemical Industries, Ltd. (JP) 2008-09-03 EP disclosed
US-20080142790-A1 Phthalocyanine compound; organic semiconductor and method of producing the same, electronic device, organic photoelectric conversion device, organic field-effect transistor, and organic electroluminescence device, using the compound FUJIFILM CORPORATION (JP) 2008-06-19 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-20080210128-A1 Optical Layer including mu-oxo-bridged boron-subphthalocyanine dimer SAAL1, APOL1, EBPL AR 3319/4885MAOB 572/4885MAOA 1786/4885

“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.