SCHEMBL20448165

SCHEMBL20448165

C=CC(=O)OCCCCCCCCCCCCCCCCCC.CCC=C(CCCCCC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HCAR2 Q8TDS4 3/20 0.48
▸ ATM Q13315 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ DGKA P23743 1/20 0.39
▸ APEX1 P27695 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31727304 0.97 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL29942887 0.92 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL277786 0.85 GPR84 (0.45) TSHRALDH1A1HSD17B10
Acrylic Acid SCHEMBL3030747 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL2133447 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL6726330 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL4429114 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL10487730 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL21836016 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL2338801 0.83 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2

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-10653591-B2 Liquid oil-dispersible type eye makeup composition AMOREPACIFIC CORPORATION (KR) 2020-05-19 — — US disclosed
US-20180318182-A1 LIQUID OIL-DISPERSIBLE TYPE EYE MAKEUP COMPOSITION AMOREPACIFIC CORPORATION (KR) 2018-11-08 — — US disclosed
EP-3357487-A1 LIQUID OIL-DISPERSIBLE TYPE EYE MAKEUP COMPOSITION Amorepacific Corporation (KR) 2018-08-08 — — EP 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-10653591-B2 Liquid oil-dispersible type eye makeup composition AUP1, ELOVL1, ELOVL3 TSHR 2621/4885HPGD 3618/4885ALDH1A1 614/4885
US-20180318182-A1 LIQUID OIL-DISPERSIBLE TYPE EYE MAKEUP COMPOSITION AUP1, ELOVL1, ELOVL3 TSHR 2621/4885HPGD 3618/4885ALDH1A1 614/4885

“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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