SCHEMBL1611907

SCHEMBL1611907

[CH]=C(C)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
PLK1 P53350 1/20 0.52
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CDC25B P30305 2/20 0.47
PTPN1 P18031 1/20 0.47
PTK2B Q14289 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL66680 0.81 NR4A1 (0.58) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL3255960 0.81 NR4A1 (0.58) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL1612416 0.81 ALDH1A1 (0.56) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL27486785 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL8034961 0.79 NR4A1 (0.56) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL29365860 0.77 NR4A1 (0.65) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL28879867 0.77 NR4A1 (0.54) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL273123 0.77 PTK2B (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL29563474 0.77 PTK2B (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL50651 0.77 NR4A1 (0.65) NR4A1NR4A2NR4A3PLK1MMP3

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 3 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
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 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 NR4A1 504/4885NR4A2 530/4885NR4A3 962/4885

“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.