SCHEMBL17027832

SCHEMBL17027832

CCCCCCCCCCCCCCC(C)c1ccc(COC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ CETP P11597 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL17027725 1.00 ALDH1A1 (0.46) ALDH1A1CYSLTR2CYSLTR1MEN1HPGD
SCHEMBL17027826 1.00 ALDH1A1 (0.46) ALDH1A1CYSLTR2CYSLTR1MEN1HPGD
SCHEMBL17027708 1.00 ALDH1A1 (0.46) ALDH1A1CYSLTR2CYSLTR1MEN1HPGD
SCHEMBL13784554 0.94 ALDH1A1 (0.49) ALDH1A1MEN1HPGDKMT2ACYP3A4
SCHEMBL13784560 0.88 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACYP3A4CA1
SCHEMBL12766653 0.84 ESR1 (0.49) ALDH1A1MEN1KMT2ACYP3A4CA1
SCHEMBL10001688 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACYP3A4NPBWR1
SCHEMBL13784595 0.81 TSHR (0.42) ALDH1A1MEN1HPGDKMT2ACYP3A4
SCHEMBL22639629 0.79 MAPT (0.54) ALDH1A1MEN1HPGDKMT2ACYP3A4
SCHEMBL13783933 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AFAAHCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 — — US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 — — US disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 — — WO 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-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 ALDH1A1 1887/4885CYSLTR2 142/4885CYSLTR1 426/4885

“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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