SCHEMBL16459448

SCHEMBL16459448

CCCCCCC(O)(CCC)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.47
MBOAT4 Q96T53 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNM1 Q05193 1/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1614607 0.80 CETP (0.47) CETPMBOAT4MEN1KMT2AMAPK1
SCHEMBL1614849 0.80 CETP (0.47) CETPMBOAT4MEN1KMT2AMAPK1
SCHEMBL7451131 0.78 CETP (0.47) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL8709296 0.78 MBOAT4 (0.45) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL10389226 0.77 CETP (0.44) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL9116193 0.77 CETP (0.44) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL6811511 0.76 MBOAT4 (0.43) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL9221499 0.76 CETP (0.43) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL29307029 0.76 CETP (0.43) CETPMBOAT4GAAMEN1KMT2A
SCHEMBL16587991 0.75 TSHR (0.40) CETPGAAMEN1KMT2AMAPK1

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-9051293-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-09 US disclosed
US-20140107350-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-17 US 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-20140107350-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS CETP 1147/4885MBOAT4 3428/4885GAA 4338/4885

“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.