SCHEMBL23567271

SCHEMBL23567271

C#CCOCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL470893 0.90 TSHR (0.61) TSHRIDO1AGXTNAAALMNA
SCHEMBL19460555 0.88 TSHR (0.58) TSHRIDO1AGXTNAAALMNA
SCHEMBL3821073 0.84 TSHR (0.54) TSHRIDO1AGXTNAAALMNA
SCHEMBL223907 0.82 TSHR (0.78) TSHRIDO1AGXTLMNAALDH1A1
SCHEMBL20423790 0.82 NAAA (0.53) TSHRIDO1AGXTNAAALMNA
SCHEMBL4180174 0.81 TSHR (0.50) TSHRNAAALMNA
SCHEMBL23567237 0.81 TSHR (0.50) TSHRIDO1AGXTNAAALMNA
SCHEMBL70291 0.80 TSHR (0.74) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL53267 0.80 TSHR (0.74) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL3423851 0.78 TSHR (0.42) TSHRIDO1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024359-B Process for preparing alkoxymethyl alkynyl ether compounds having terminal triple bonds 信越化学工业株式会社 2024-06-11 CN disclosed
EP-3842406-B1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHINETSU CHEMICAL CO (JP) 2023-10-11 EP disclosed
US-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-12 US disclosed
US-20210198172-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-01 US disclosed
EP-3842406-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND Shin-Etsu Chemical Co., Ltd. (JP) 2021-06-30 EP disclosed
CN-113024359-A Method for producing alkoxymethyl alkynyl ether compounds having terminal triple bond 信越化学工业株式会社 2021-06-25 CN 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-20210198172-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND CBR3, CBR1, AOC2 TSHR 2045/4885IDO1 3638/4885AGXT 979/4885
US-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond CBR3, CBR1, AOC2 TSHR 2045/4885IDO1 3638/4885AGXT 979/4885

“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.