SCHEMBL12413428

SCHEMBL12413428

CC(=O)Oc1ccc(-c2sc3c(sc4cc5c(cc43)sc3c(Br)c(-c4ccc(OC(C)=O)cc4Br)sc35)c2Br)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
KDM4E B2RXH2 5/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 4/20 0.33
NPC1 O15118 4/20 0.33
GAA P10253 4/20 0.33
GLA P06280 3/20 0.33
LMNA P02545 2/20 0.33
BACE1 P56817 2/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL12413415 0.89 CA2 (0.39) CA2KDM4EPOLBGAAGLA
SCHEMBL12413425 0.81 MAPT (0.36) CA2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12413285 0.78 CA2 (0.42) CA2KDM4EESR1POLBNPC1
SCHEMBL12413393 0.76
SCHEMBL20111032 0.72 CA2 (0.49) CA2KDM4EPOLBGAAGLA
SCHEMBL12413429 0.71 CYP1A1 (0.31)
SCHEMBL12504764 0.70
SCHEMBL12502361 0.70
SCHEMBL12504749 0.67
SCHEMBL12413390 0.66

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
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 CA2 2630/4885KDM4E 1286/4885ESR1 425/4885

“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.