SCHEMBL17908862

SCHEMBL17908862

COC(=O)CCCOCCOCCOCCOCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17909307 1.00 TSHR (0.50) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17908940 1.00 TSHR (0.50) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17909047 0.85 MAPT (0.43) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL17909245 0.85 MAPT (0.43) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL17908775 0.85 TSHR (0.50) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17909103 0.85 TSHR (0.50) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17908824 0.85 TSHR (0.50) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17909674 0.85 MAPT (0.43) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL17921628 0.84 TSHR (0.45) TSHRLMNAALDH1A1CA12CA14
SCHEMBL17921627 0.84 TSHR (0.45) TSHRLMNAALDH1A1CA12CA14

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 5 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
CN-105579431-A Ether-containing monoester compound and use thereof MORESCO CORP 2016-05-11 — — CN 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 4877/4885LMNA 3897/4885ALDH1A1 1635/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 TSHR 4877/4885LMNA 3960/4885ALDH1A1 1563/4885

“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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