SCHEMBL12440941

SCHEMBL12440941

COc1ccc(N(c2ccc(C)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RELA Q04206 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL14621049 0.95 ACHE (0.52) ACHEALDH1A1TP53THRBRAB9A
SCHEMBL8097578 0.92 RAB9A (0.53) ACHETP53THRBRAB9ALMNA
SCHEMBL8319450 0.92 RAB9A (0.53) ACHETP53THRBRAB9ALMNA
SCHEMBL578301 0.92 RAB9A (0.53) ACHETP53THRBRAB9ALMNA
SCHEMBL348291 0.90 ACHE (0.71) ACHEALDH1A1TP53RAB9ALMNA
SCHEMBL19958553 0.90 ACHE (0.71) ACHEALDH1A1TP53RAB9ALMNA
SCHEMBL10065624 0.90 ACHE (0.71) ACHEALDH1A1TP53RAB9ALMNA
SCHEMBL12545287 0.90 ACHE (0.71) ACHEALDH1A1TP53RAB9ALMNA
SCHEMBL172190 0.90 ACHE (0.71) ACHEALDH1A1TP53RAB9ALMNA
SCHEMBL23219385 0.86 MEN1 (0.48) ALDH1A1TP53RAB9ALMNAKMT2A

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-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 ACHE 1808/4885ALDH1A1 618/4885TP53 3701/4885

“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.