SCHEMBL1611993

SCHEMBL1611993

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
KIF11 P52732 2/20 0.41
GRIA4 P48058 4/20 0.40
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.35
GPR35 Q9HC97 1/20 0.35
FFAR1 O14842 1/20 0.35
PDE2A O00408 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL96261 0.78 GRIA4 (0.43) TSHRKIF11GRIA4LMNATYR
SCHEMBL11043704 0.78 KIF11 (0.45) TSHRKIF11GRIA4LMNATYR
SCHEMBL1611803 0.77 TYR (0.41) LMNATYR
SCHEMBL1610568 0.75 CHRNA7 (0.41) GRIA4ALDH1A1
SCHEMBL9621026 0.74 TSHR (0.50) TSHRKIF11GRIA4LMNATYR
SCHEMBL548066 0.74 TSHR (0.50) TSHRKIF11GRIA4LMNATYR
SCHEMBL1611811 0.74 ESR1 (0.45) LMNAALDH1A1
SCHEMBL1612914 0.74 FFAR1 (0.42) TSHRKIF11GRIA4LMNATYR
SCHEMBL1452755 0.72 MIF (0.46) TSHRLMNAALDH1A1
SCHEMBL1610629 0.71 GRIA4 (0.42) TSHRKIF11GRIA4LMNATYR

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 TSHR 2994/4885KIF11 3208/4885GRIA4 1762/4885

“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.