SCHEMBL17921629

SCHEMBL17921629

CCC(C)COC(=O)CCCOCCOCCOCCOC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ENPP2 Q13822 8/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LPAR6 P43657 3/20 0.37
▸ LPAR1 Q92633 3/20 0.37
▸ LPAR4 Q99677 3/20 0.37
▸ LPAR5 Q9H1C0 3/20 0.37
▸ LPAR2 Q9HBW0 3/20 0.37
▸ LPAR3 Q9UBY5 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DGKA P23743 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
SCHEMBL17921626 1.00 MAPT (0.41) MAPTCYP3A4TSHRATMTDP1
SCHEMBL17909106 0.85 MAPT (0.41) MAPTCYP3A4TSHRATMTDP1
SCHEMBL17908660 0.85 MAPT (0.41) MAPTCYP3A4TSHRATMTDP1
SCHEMBL17908639 0.85 MAPT (0.41) MAPTCYP3A4TSHRATMTDP1
SCHEMBL14674389 0.81 MAPT (0.58) MAPTCYP3A4TSHRATMTDP1
SCHEMBL491526 0.81 MAPT (0.53) MAPTCYP3A4TSHRATMTDP1
SCHEMBL17921628 0.81 TSHR (0.45) MAPTCYP3A4TSHRATMTDP1
SCHEMBL17921627 0.81 TSHR (0.45) MAPTCYP3A4TSHRATMTDP1
SCHEMBL916783 0.80 CYP1A2 (0.52) CYP3A4TSHRTDP1ALDH1A1DGKA
SCHEMBL17909367 0.80 CYP1A2 (0.52) CYP3A4TSHRTDP1ALDH1A1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 MAPT 3717/4885CYP3A4 341/4885TSHR 4877/4885

“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.

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