SCHEMBL1609764

SCHEMBL1609764

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
IDO1 P14902 2/20 0.36
TYR P14679 2/20 0.35
PYCR1 P32322 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HTT P42858 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
USP5 P45974 1/20 0.32
MGLL Q99685 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1611710 0.85 ALDH1A1 (0.40) CYP2D6CYP2C9CYP1A2MAPTALOX15
SCHEMBL1612164 0.83 FFAR1 (0.36) FFAR1IDO1TYRPYCR1NOS3
SCHEMBL1611263 0.83 FFAR1 (0.38) FFAR1IDO1HTTCYP2D6CYP2C9
SCHEMBL1612452 0.81 TSHR (0.45) CRHBPCRHR2CYP2C9ESR1CYP1A2
SCHEMBL1610744 0.80 SMN1; SMN2 (0.36) FFAR1IDO1TYRPYCR1LMNA
SCHEMBL1454487 0.80 LMNA (0.46) NOS3NOS2LMNATDP1POLB
SCHEMBL1612020 0.79 EPHX1 (0.38) FFAR1IDO1TYRPYCR1SLC6A2
SCHEMBL1612914 0.78 FFAR1 (0.42) FFAR1TYRHTTLMNAALPL
SCHEMBL1611317 0.78 ACACB (0.39) MGLLESR1
SCHEMBL1611206 0.75 UGT2B7 (0.47) CYP2D6CYP1A2CYP3A4SLC6A2SLC6A3

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 4079/4885IDO1 174/4885TYR 37/4885

“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.