SCHEMBL17909428

SCHEMBL17909428

CCCCC(CC)COCCOCCOCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.74
TSHR P16473 3/20 0.74
ATM Q13315 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
RECQL P46063 1/20 0.51
ALDH1A1 P00352 5/20 0.47
CA2 P00918 2/20 0.47
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DGKA P23743 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL17909163 1.00 CYP3A4 (0.74) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17908666 1.00 CYP3A4 (0.74) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17908895 0.95 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909145 0.95 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909579 0.95 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909373 0.95 CYP3A4 (0.67) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17908934 0.95 CYP3A4 (0.67) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909557 0.95 CYP3A4 (0.67) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909252 0.95 CYP3A4 (0.67) CYP3A4TSHRATMTDP1MMP9
SCHEMBL17909656 0.95 CYP3A4 (0.67) CYP3A4TSHRATMTDP1MMP9

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
EP-3048093-B1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORP (JP) 2019-02-20 EP disclosed
US-10077229-B2 Ether-containing monoester compound and use thereof MORESCO CORPORATION (JP) 2018-09-18 US disclosed
EP-3048093-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF Moresco Corporation (JP) 2016-07-27 EP disclosed
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORPORATION (JP) 2016-07-14 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 (2 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-10077229-B2 Ether-containing monoester compound and use thereof SFN, CCNE2, HSD3B2 CYP3A4 281/4885TSHR 4877/4885ATM 2630/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 CYP3A4 341/4885TSHR 4877/4885ATM 2502/4885

“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.