SCHEMBL1610568

SCHEMBL1610568

[C]#CC(C)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
ACHE P22303 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 1/20 0.39
ALOX5 P09917 1/20 0.35
STAT3 P40763 1/20 0.32
CYP19A1 P11511 1/20 0.32
CA7 P43166 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIA4 P48058 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 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
SCHEMBL1611803 0.82 TYR (0.41)
SCHEMBL1452755 0.77 MIF (0.46) ALDH1A1
SCHEMBL4831620 0.75 CHRNA7 (0.41) CHRNA7ACHETDP1ALDH1A1CYP2A6
SCHEMBL911297 0.75 CHRNA7 (0.41) CHRNA7ACHETDP1ALDH1A1CYP2A6
SCHEMBL958687 0.75 ALDH1A1 (0.44) CHRNA7ACHETDP1ALDH1A1CYP2A6
SCHEMBL17530144 0.75 CHRNA7 (0.41) CHRNA7ACHETDP1ALDH1A1CYP2A6
SCHEMBL1611993 0.75 TSHR (0.41) ALDH1A1GRIA4
SCHEMBL1611614 0.75 ALDH1A1 (0.41) TDP1ALDH1A1GAA
SCHEMBL1612271 0.75 L3MBTL1 (0.47) TDP1ALDH1A1CYP2A6CA2
SCHEMBL1611419 0.73 ACHE (0.44) ACHETDP1ALDH1A1CYP19A1GAA

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 CHRNA7 3007/4885ACHE 3944/4885TDP1 2129/4885

“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.