SCHEMBL12502152

SCHEMBL12502152

C=C(CC(=O)OCCCC(C)C)C(=O)OCCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.34
FAAH O00519 1/20 0.33
RARB P10826 1/20 0.32
NAAA Q02083 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PPIA P62937 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
BLM P54132 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12501899 0.95 TSHR (0.39) CYP19A1TSHRTDP1ACHEFAAH
SCHEMBL12501996 0.93 TSHR (0.41) CYP19A1TSHRTDP1ACHEFAAH
SCHEMBL14720439 0.93 TSHR (0.41) CYP19A1TSHRTDP1ACHEFAAH
SCHEMBL9955895 0.93 TSHR (0.41) CYP19A1TSHRTDP1ACHEFAAH
SCHEMBL12502138 0.89 CYP19A1 (0.45) CYP19A1TSHRTDP1ACHEHTT
SCHEMBL27809021 0.83 MGAM (0.42) CYP19A1TSHRTDP1ACHEFAAH
SCHEMBL27646478 0.82 TSHR (0.38) CYP19A1TSHRTDP1ACHERARB
SCHEMBL2809634 0.81 CYP19A1 (0.37) CYP19A1TSHRACHEAPEX1BLM
SCHEMBL194857 0.80 TSHR (0.52) TSHRACHEFAAHNAAARAD52
SCHEMBL24993405 0.80 RARB (0.39) TSHRTDP1FAAHRARBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618718-B2 Oxygen scavengers APG Polytech, LLC (US) 2020-04-14 US disclosed
CN-110684607-A Environment-friendly cleaning agent and preparation method thereof 上海源育节能环保科技有限公司 2020-01-14 CN disclosed
CN-110669595-A Automobile polishing cleaning agent and preparation method thereof 上海源育节能环保科技有限公司 2020-01-10 CN disclosed
US-20190233195-A1 OXYGEN SCAVENGERS APG Polytech, LLC (US) 2019-08-01 US disclosed
EP-2748084-B1 ARTICLES CONTAINING OXYGEN-SCAVENGING MATERIALS APG POLYTECH LLC (US) 2019-06-12 EP disclosed
US-10207853-B2 Oxygen scavengers APG Polytech, LLC (US) 2019-02-19 US disclosed
US-20140220281-A1 OXYGEN SCAVENGERS M&G USA CORPORATION (US) 2014-08-07 US disclosed
EP-2748084-A1 OXYGEN SCAVENGERS M&G USA Corporation (US) 2014-07-02 EP disclosed
WO-2013028290-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2013028289-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 WO 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 (3 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-10207853-B2 Oxygen scavengers LPO, GPX4, GPX1 CYP19A1 3767/4885TSHR 4694/4885TDP1 2851/4885
US-20190233195-A1 OXYGEN SCAVENGERS LPO, GPX4, GPX1 CYP19A1 3767/4885TSHR 4694/4885TDP1 2851/4885
US-10618718-B2 Oxygen scavengers LPO, GPX4, GPX1 CYP19A1 3767/4885TSHR 4694/4885TDP1 2851/4885

“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.