SCHEMBL4725286

SCHEMBL4725286

C=C(C)CCN(CCC(=C)C)CCC(=C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 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
SCHEMBL13522719 0.89 CA12 (0.37) HSD17B10TDP1CYP1A2
Hydrochloric Acid SCHEMBL22771754 0.87 CA12 (0.36) HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL22771833 0.83 PAOX (0.34) HSD17B10TDP1CYP1A2
Hydrochloric Acid SCHEMBL22771670 0.83 CA12 (0.40)
Hydrochloric Acid SCHEMBL22771618 0.81 GBA1 (0.39)
SCHEMBL1137754 0.79 ALDH1A1 (0.37)
SCHEMBL5423011 0.78 KMT2A (0.39) HSD17B10TDP1
SCHEMBL466555 0.78
SCHEMBL21985010 0.75 KDM5A (0.42)
Hydrochloric Acid SCHEMBL22771704 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds BAKER HUGHES INCORPORATED (US) 2008-01-17 US claimed
WO-2008008697-A2 COMPOSITIONS, METHODS AND USES FOR STERICALLY-HINDERED QUATERNARY AMMONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2008-01-17 WO claimed
US-20080293597-A1 METHOD FOR INHIBITING HYDRATE FORMATION BAKER HUGHES INCORPORATED (US) 2008-11-27 US disclosed
US-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds BAKER HUGHES INCORPORATED (US) 2008-01-17 US disclosed
WO-2008008697-A2 COMPOSITIONS, METHODS AND USES FOR STERICALLY-HINDERED QUATERNARY AMMONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2008-01-17 WO disclosed
US-20070155636-A1 Lubricating oil additive and lubricating oil composition containing the same ADEKA CORPORATION (JP) 2007-07-05 US disclosed
EP-1717298-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION CONTAINING SAME Adeka Corporation (JP) 2006-11-02 EP 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-20080015121-A1 Compositions, methods and uses for sterically hindered quaternary ammonium compounds HDHD5, DHX29, KAT7 HSD17B10 1317/4885TDP1 2664/4885CYP1A2 1343/4885
US-20080293597-A1 METHOD FOR INHIBITING HYDRATE FORMATION HDHD5, DHX29, DHX9 HSD17B10 944/4885TDP1 3526/4885CYP1A2 577/4885

“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.