SCHEMBL1611048

SCHEMBL1611048

[CH2]CCCCCCCc1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3111749 1.00 CYP2A6 (0.35) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL1610794 1.00 CYP2A6 (0.35) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL1610192 0.98 CYP2A6 (0.36) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL198681 0.91 CYP2A6 (0.38) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8093240 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8101082 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8096579 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8093953 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8097074 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10
SCHEMBL8087584 0.88 CYP2A6 (0.43) CYP2A6CYP1A2LMNAMAPTHSD17B10

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
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 CYP2A6 1465/4885CYP1A2 125/4885LMNA 4544/4885

“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.