SCHEMBL1612914

SCHEMBL1612914

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
GRIA4 P48058 4/20 0.40
TSHR P16473 2/20 0.37
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.35
TYR P14679 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KIF11 P52732 2/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
TP53 P04637 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
SRD5A2 P31213 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1610629 0.85 GRIA4 (0.42) FFAR1GRIA4TSHRATMGPR35
SCHEMBL1609776 0.82 FFAR1 (0.38) FFAR1GRIA4TSHRATMGPR35
SCHEMBL1612254 0.81 FFAR1 (0.38) FFAR1GRIA4TSHRATMGPR35
SCHEMBL31259082 0.81 FFAR1 (0.42) FFAR1GRIA4TSHRATMGPR35
SCHEMBL1612757 0.78 ESR1 (0.42)
SCHEMBL1609764 0.78 FFAR1 (0.38) FFAR1LMNATYRALPLHTT
SCHEMBL1611263 0.78 FFAR1 (0.38) FFAR1LMNAACHEHTT
SCHEMBL1612452 0.76 TSHR (0.45) TSHRATMTP53L3MBTL1
SCHEMBL1611710 0.76 ALDH1A1 (0.40) TSHRGAAL3MBTL1
SCHEMBL1454487 0.75 LMNA (0.46) LMNA

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 FFAR1 4079/4885GRIA4 1762/4885TSHR 2994/4885

“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.