SCHEMBL1609776

SCHEMBL1609776

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
GRIA4 P48058 4/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TSHR P16473 1/20 0.32
GCGR P47871 1/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
TYR P14679 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1612254 0.95 FFAR1 (0.38) FFAR1GRIA4HDAC3HDAC1HDAC2
SCHEMBL1610629 0.90 GRIA4 (0.42) FFAR1GRIA4HDAC3HDAC1HDAC2
SCHEMBL1612914 0.82 FFAR1 (0.42) FFAR1GRIA4LMNAATMGPR35
SCHEMBL1610744 0.81 SMN1; SMN2 (0.36) FFAR1LMNATYRALDH1A1SMN1; SMN2
SCHEMBL1611089 0.81 HRH3 (0.42) FFAR1
SCHEMBL1610681 0.81 ESR1 (0.38)
SCHEMBL1610729 0.79 TSHR (0.40) ATMTSHR
SCHEMBL1610710 0.79 POLB (0.41) LMNAALDH1A1MAPT
SCHEMBL1612217 0.78 CA2 (0.41) LMNAHSD17B10TSHRACHEALDH1A1
SCHEMBL1610636 0.78 TDP1 (0.35) HSD17B10TSHRMEN1ALDH1A1MAPT

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 1762/4885HDAC3 3932/4885

“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.