SCHEMBL10002234

SCHEMBL10002234

CCCCCCCC/C=C\CCCCCCCCNC(=O)CCN(CCCC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.65
▸ SLC6A5 Q9Y345 2/20 0.63
▸ CNR1 P21554 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ LPAR1 Q92633 1/20 0.57

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
SCHEMBL17431042 0.92 EPHX2 (0.58) EPHX2SLC6A5CNR1KDM4ELPAR1
SCHEMBL17431039 0.92 EPHX2 (0.58) EPHX2SLC6A5CNR1KDM4ELPAR1
SCHEMBL20305887 0.91 CASP2 (0.67) EPHX2SLC6A5
SCHEMBL20305888 0.91 CASP2 (0.67) EPHX2SLC6A5
SCHEMBL889318 0.91 CASP2 (0.67) EPHX2SLC6A5
SCHEMBL25285302 0.90 SLC6A5 (0.71) EPHX2SLC6A5CNR1KDM4ELPAR1
SCHEMBL24412966 0.89 CASP2 (0.63) EPHX2SLC6A5
SCHEMBL25247574 0.89 EPHX2 (0.63) EPHX2SLC6A5CNR1KDM4E
SCHEMBL24412947 0.88 CASP2 (0.67) EPHX2SLC6A5
SCHEMBL12792095 0.88 CASP2 (0.67) EPHX2SLC6A5

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
US-10006128-B2 Quaternary and cationic ammonium surfactants as corrosion inhibitors ECOLAB USA INC. (US) 2018-06-26 — — US disclosed
US-9505707-B2 Composition and method for reducing hydrate agglomeration NALCO COMPANY (US) 2016-11-29 — — US disclosed
US-9505707-B2 Composition and method for reducing hydrate agglomeration NALCO COMPANY (US) 2016-11-29 — — US disclosed
US-20120161070-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION HARBISON-FISCHER, INC. 2012-06-28 — — 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-20120161070-A1 COMPOSITION AND METHOD FOR REDUCING HYDRATE AGGLOMERATION AQP1, AQP3, HRH3 EPHX2 1954/4885SLC6A5 423/4885CNR1 78/4885

“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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