SCHEMBL1612434

SCHEMBL1612434

[CH2]C=CCc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TYR P14679 1/20 0.39
PYCR1 P32322 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL9113914 0.80 IDO1 (0.46) IDO1TYRPYCR1L3MBTL1RAB9A
SCHEMBL9113904 0.80 IDO1 (0.46) IDO1TYRPYCR1L3MBTL1RAB9A
SCHEMBL8121752 0.79 CHRM1 (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL7193434 0.78 ALDH1A1 (0.52) IDO1TYRPYCR1BCHEACHE
SCHEMBL5021270 0.76 IDO1 (0.50) IDO1TYRPYCR1BCHEACHE
SCHEMBL1784162 0.76 IDO1 (0.50) IDO1TYRPYCR1BCHEACHE
SCHEMBL1455261 0.76 AGXT (0.43) IDO1ACHERAB9AMAOBSMN1; SMN2
SCHEMBL1610310 0.76 TP53 (0.40) IDO1L3MBTL1RAB9ANPC1MAOB
SCHEMBL4447010 0.76 IDO1 (0.48) IDO1TYRPYCR1BCHEACHE
SCHEMBL1455258 0.76 AGXT (0.43) IDO1ACHERAB9AMAOBSMN1; SMN2

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 IDO1 174/4885TYR 37/4885PYCR1 1495/4885

“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.