SCHEMBL17908643

SCHEMBL17908643

CCCCCCCCCCCCOCCOCCOCCCC(=O)OCC(CCCCCC)CCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.50
DGKA P23743 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
PRKCA P17252 3/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
LPAR6 P43657 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43

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
SCHEMBL17909562 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909662 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909636 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909299 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909046 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17908526 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909522 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909735 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17908561 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL17909426 1.00 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MAPT

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.