SCHEMBL17921628

SCHEMBL17921628

CCC(C)COCCOCCOCCCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.45
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLA2G2C Q5R387 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL17921627 1.00 TSHR (0.45) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL17908862 0.84 TSHR (0.50) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL17909307 0.84 TSHR (0.50) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL17908940 0.84 TSHR (0.50) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL17921629 0.81 MAPT (0.41) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL17921626 0.81 MAPT (0.41) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL14179962 0.80 TSHR (0.45) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL4430084 0.80 TSHR (0.70) TSHRLMNAALDH1A1MAPTHSD17B10
SCHEMBL20725788 0.79 CYP1A2 (0.31) MAPTCYP3A4CYP1A2CYP2C19
SCHEMBL17909574 0.78 CYP3A4 (0.56) TSHRLMNAALDH1A1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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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