SCHEMBL17909313

SCHEMBL17909313

CCCOC(C)COCCOCCCC(=O)OC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL17909143 0.91 NAAA (0.50) NAAATDP1SMN1; SMN2EPHX1HTT
SCHEMBL17909418 0.84 NAAA (0.55) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909519 0.84 NAAA (0.55) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210450 0.84 NAAA (0.71) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210685 0.84 NAAA (0.71) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17908571 0.82 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909406 0.82 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17908882 0.82 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210442 0.82 NAAA (0.70) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909326 0.81 NAAA (0.55) NAAASMN1; SMN2EPHX1HTTCYP2C19

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
EP-3048093-B1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORP (JP) 2019-02-20 — — EP disclosed
US-10077229-B2 Ether-containing monoester compound and use thereof MORESCO CORPORATION (JP) 2018-09-18 — — US disclosed
EP-3048093-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF Moresco Corporation (JP) 2016-07-27 — — EP disclosed
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 (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-10077229-B2 Ether-containing monoester compound and use thereof SFN, CCNE2, HSD3B2 NAAA 4428/4885TDP1 4596/4885SMN1; SMN2 1830/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 NAAA 4362/4885TDP1 4611/4885SMN1; SMN2 1877/4885

“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.

Send feedback