SCHEMBL3204029

SCHEMBL3204029

OCCCCCOCC1CO1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.33
MAPT P10636 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
SCHEMBL3750992 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL27670973 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL126395 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL123896 0.98 TSHR (0.78) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL12873237 0.94 TSHR (0.72) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15834831 0.92 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
1,4-Butanediol SCHEMBL29258788 0.91 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL2677431 0.91
Etoglucid SCHEMBL29001809 0.90 TSHR (0.59) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668238 0.89 TSHR (0.56) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255979-A Cationic-nonionic polymer surfactant, preparation method and application thereof 联泓(江苏)新材料研究院有限公司 2024-06-28 CN disclosed
CN-115542668-A Photosensitive resin composition 东京应化工业株式会社 2022-12-30 CN disclosed
EP-4063675-A1 MEMBER FOR ELECTROPHOTOGRAPHY, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2022-09-28 EP disclosed
US-20200166866-A1 DEVELOPING MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-05-28 US disclosed
EP-2084289-B1 PROCESS FOR PRODUCING OF EPOXY-CONTAINING (METH)ACRYLIC ESTERS, USING LIPASES BASF SE (DE) 2015-03-04 EP disclosed
CN-102580683-A Endotoxin synergistic adsorbent and preparation method thereof JAFRON BIOMEDICAL CO LTD 2012-07-18 CN disclosed
US-8183018-B2 Process for producing of epoxy-containing (meth)acrylic esters, using lipases BASF AKTIENGESELLSCHAFT (DE) 2012-05-22 US disclosed
US-20100048927-A1 PROCESS FOR PRODUCING OF EPOXY-CONTAINING (METH) ACRYLIC ESTERS, USING LIPASES BASF SE (DE) 2010-02-25 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-20100048927-A1 PROCESS FOR PRODUCING OF EPOXY-CONTAINING (METH) ACRYLIC ESTERS, USING LIPASES MGLL, ADH1A, CES2 TSHR 1953/4885ALDH1A1 59/4885TDP1 1008/4885

“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.