SCHEMBL17909484

SCHEMBL17909484

COC(=O)CCCOCCOCCOC(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17909221 1.00 TSHR (0.50) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL16707218 0.88 TSHR (0.58) TSHRALDH1A1LMNAMAPTMEN1
SCHEMBL17908830 0.85 LMNA (0.52) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL17909443 0.85 LMNA (0.52) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL14179962 0.84 TSHR (0.45) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL4430084 0.84 TSHR (0.70) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL13686344 0.84 LMNA (0.44) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL14148186 0.82 TSHR (0.56) TSHRALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL17909115 0.82 CYP1A2 (0.47) TSHRALDH1A1EPHX2LMNAMAPT
SCHEMBL17908651 0.82 CYP1A2 (0.47) TSHRALDH1A1EPHX2LMNAMAPT

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 TSHR 4877/4885ALDH1A1 1635/4885EPHX2 200/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 TSHR 4877/4885ALDH1A1 1563/4885EPHX2 182/4885

“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.