SCHEMBL2864282

SCHEMBL2864282

C=C(C)CCCC(OCc1ccccc1)=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HCAR2 Q8TDS4 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2861248 0.77 ELANE (0.35) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL30937230 0.75 ALDH1A1 (0.53) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL4663055 0.75 L3MBTL1 (0.50) ALDH1A1TDP1L3MBTL1HTTTSHR
SCHEMBL1109806 0.74 TSHR (0.52) ALDH1A1TDP1L3MBTL1CA1CA2
SCHEMBL13451270 0.73 ALDH1A1 (0.59) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL2859389 0.73 ALDH1A1 (0.42) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL2163834 0.73 HDAC1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A3
SCHEMBL156493 0.73 ALDH1A1 (0.63) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL2162299 0.71 MAPT (0.59) ALDH1A1MAPK1L3MBTL1SLC6A3SMN1; SMN2
SCHEMBL2859462 0.71 ALDH1A1 (0.32) ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 US disclosed
CN-1972888-A Method for producing ethers KURARAY CO (JP) 2007-05-30 CN disclosed
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 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-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT ALDH1A1 3068/4885HCAR2 3428/4885TDP1 2332/4885

“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.