SCHEMBL12711978

SCHEMBL12711978

Cc1cc2sc(-c3cc4c(=O)c5c(C)c6c(c(C)c5c4s3)c(=O)c3cc(-c4cc5sc(C)cc5s4)sc36)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12711944 0.81 ALDH1A1 (0.35) PKMNPSR1RXFP1ALDH1A1POLB
SCHEMBL12711914 0.79 PKM (0.35) PKMNPSR1RXFP1ALDH1A1MEN1
SCHEMBL12711920 0.79 PGR (0.33) RXFP1ALDH1A1MEN1POLBGAA
SCHEMBL12711995 0.78 QPCT (0.33) RXFP1ALDH1A1MEN1POLBGAA
SCHEMBL12711647 0.78
SCHEMBL12711992 0.77 CYP2A6 (0.41) ALDH1A1MEN1POLBGAAMAPT
SCHEMBL12711903 0.73 JAK2 (0.40) PKMALDH1A1GAAMAPT
SCHEMBL13407303 0.73 ALDH1A1 (0.37) PKMNPSR1RXFP1ALDH1A1
SCHEMBL14479816 0.73 ALDH1A1 (0.37) PKMNPSR1RXFP1ALDH1A1
SCHEMBL12712020 0.73 ALDH1A1 (0.37) ALDH1A1MEN1POLBGAAMAPT

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 PKM 4053/4885NPSR1 2041/4885RXFP1 3455/4885

“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.