SCHEMBL10316554

SCHEMBL10316554

[O]CCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
NAAA Q02083 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LTA4H P09960 1/20 0.42
AGXT P21549 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8062638 1.00 TSHR (0.58) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL96752 0.96 TSHR (0.64) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL10895400 0.89 TSHR (0.74) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL4608747 0.89 TSHR (0.74) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL9505432 0.89 TSHR (0.74) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL3701483 0.89 TSHR (0.74) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL9329653 0.88 TSHR (0.54) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL9489206 0.87 TSHR (0.58) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL29482065 0.86 TSHR (0.70) TSHRNAAASMN1; SMN2LMNAHTT
SCHEMBL1991359 0.86 TSHR (0.78) TSHRNAAASMN1; SMN2HTTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
CN-115697990-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-02-03 CN disclosed
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 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 (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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 TSHR 2206/4885NAAA 2629/4885SMN1; SMN2 2679/4885

“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.