SCHEMBL18300082

SCHEMBL18300082

CCCCCCCCC=CCCCCCCCCOCCOCCOC(=O)CCN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
MGLL Q99685 1/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44
DGKA P23743 2/20 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
SCHEMBL15848185 1.00 EPHX2 (0.50) EPHX2THRBTHRAMGLLFAAH
SCHEMBL15847974 1.00 EPHX2 (0.50) EPHX2THRBTHRAMGLLFAAH
SCHEMBL15848199 1.00 EPHX2 (0.50) EPHX2THRBTHRAMGLLFAAH
SCHEMBL15848183 1.00 EPHX2 (0.50) EPHX2THRBTHRAMGLLFAAH
SCHEMBL15847993 1.00 EPHX2 (0.50) EPHX2THRBTHRAMGLLFAAH
SCHEMBL15848517 0.93 THRB (0.55) THRBTHRADGKA
SCHEMBL15848363 0.93 THRB (0.55) THRBTHRADGKA
SCHEMBL15848329 0.93 THRB (0.55) THRBTHRADGKA
SCHEMBL25299329 0.87 EPHX2 (0.44) EPHX2THRBTHRACNR1DGKA
SCHEMBL29312860 0.85 FAAH (0.51) EPHX2THRBTHRAMGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190947-A9 BETA-AMINO ESTER GAS HYDRATE INHIBITORS APERGY BMCS ACQUISITION CORP 2017-07-06 US claimed
US-20160362595-A1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS NALCO CO (US) 2016-12-15 US claimed
EP-2938604-B1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS NALCO CO (US) 2018-05-30 EP disclosed
US-20170190947-A9 BETA-AMINO ESTER GAS HYDRATE INHIBITORS APERGY BMCS ACQUISITION CORP 2017-07-06 US disclosed
US-20160362595-A1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS NALCO CO (US) 2016-12-15 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-20160362595-A1 BETA-AMINO ESTER GAS HYDRATE INHIBITORS SLC43A1, AQP1, SLC6A12 EPHX2 974/4885THRB 1262/4885THRA 2462/4885
US-20170190947-A9 BETA-AMINO ESTER GAS HYDRATE INHIBITORS SLC43A1, AQP1, SLC6A12 EPHX2 974/4885THRB 1262/4885THRA 2462/4885

“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.