SCHEMBL12412979

SCHEMBL12412979

Cc1ccc2c3oc4c5cc6sc7c(oc8c9ccc(C)cc9n(C)c87)c6cc5sc4c3n(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
APAF1 O14727 1/20 0.32
IDO1 P14902 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKLR P30613 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12413019 0.91 ALDH1A1 (0.33) ALDH1A1GAAHPGD
SCHEMBL12412976 0.83 HTT (0.31) ALDH1A1GAAHPGDHTTSMN1; SMN2
SCHEMBL12412891 0.80
SCHEMBL12413189 0.79 PKM (0.35) ALDH1A1HPGDPKMKDM4EMAPT
SCHEMBL12412961 0.78 TP53 (0.31) PKMHTTPKLRTP53
SCHEMBL12412984 0.77 PKM (0.40) ALDH1A1PKMRAB9ANPSR1TDP1
SCHEMBL12412888 0.77
SCHEMBL17281047 0.76 MCL1 (0.36) ALDH1A1GAAPKMKDM4EMAPT
SCHEMBL12412978 0.75 PKM (0.33) PKMKDM4EMAPTRAB9AAPAF1
SCHEMBL12413018 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 ALDH1A1 2760/4885GAA 4553/4885HPGD 4508/4885

“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.