SCHEMBL12440995

SCHEMBL12440995

COc1c(C)cc(I)cc1I

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
TPMT P51580 1/20 0.37
ACHE P22303 1/20 0.36
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CA9 Q16790 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
SCHEMBL4599330 0.87 ACHE (0.40) TTRTPMTACHEALDH1A1CA2
SCHEMBL1530694 0.85 TTR (0.48) TTRTPMTACHEMCL1ALDH1A1
SCHEMBL258788 0.81 ACHE (0.46) TPMTACHEMCL1ALDH1A1KDM4E
SCHEMBL15183455 0.79 ACHE (0.50) ACHEALDH1A1KDM4ECYP19A1NQO2
SCHEMBL15998073 0.77 TPMT (0.35) TPMTACHEMCL1ALDH1A1
SCHEMBL19607300 0.77 KDM4E (0.43) TPMTACHEMCL1ALDH1A1CA2
SCHEMBL4353020 0.77 TPMT (0.35) TPMTACHEMCL1ALDH1A1
SCHEMBL13605941 0.77 TDP1 (0.48) TTRTPMTACHEALDH1A1KDM4E
SCHEMBL30017049 0.77 KDM4E (0.43) TPMTACHEMCL1ALDH1A1CA2
SCHEMBL17210735 0.74 TTR (0.39) TTRTPMTACHEMCL1CA2

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 TTR 611/4885TPMT 2520/4885ACHE 1808/4885

“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.