SCHEMBL1611263

SCHEMBL1611263

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 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
SCHEMBL1609738 0.83 FFAR1 (0.36) FFAR1CHRNA7ALDH1A1LMNASMN1; SMN2
SCHEMBL1609764 0.83 FFAR1 (0.38) FFAR1LMNATDP1CYP1A2CYP3A4
SCHEMBL1611710 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1CYP1A2CYP2D6
SCHEMBL1612452 0.81 TSHR (0.45) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL1611089 0.80 HRH3 (0.42) FFAR1CHRNA7HTT
SCHEMBL1454487 0.80 LMNA (0.46) LMNATDP1MEN1KMT2APOLB
SCHEMBL1612159 0.79 HRH3 (0.38) FFAR1CHRNA7MEN1KMT2AHTT
SCHEMBL954801 0.78 ALDH1A1 (0.41) FFAR1CHRNA7ALDH1A1LMNASMN1; SMN2
SCHEMBL29061985 0.78 ALDH1A1 (0.41) FFAR1CHRNA7ALDH1A1LMNASMN1; SMN2
SCHEMBL1611317 0.78 ACACB (0.39) ALDH1A1KMT2AESR1KDM4E

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 4079/4885CHRNA7 3007/4885ALDH1A1 137/4885

“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.