SCHEMBL21647504

SCHEMBL21647504

CC(O)OCCOCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NAAA Q02083 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 1/20 0.44
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL1594904 1.00 TSHR (0.48) TSHRNAAACA1CA2CA7
SCHEMBL17697791 0.98 TSHR (0.50) TSHRNAAACA1CA2CA7
SCHEMBL30147423 0.95 TSHR (0.44) TSHRNAAACA1CA2CA7
SCHEMBL30379634 0.95 TSHR (0.44) TSHRNAAACA1CA2CA7
SCHEMBL31411104 0.86 L3MBTL1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL10771878 0.86 TDP1 (0.38) CA1CA2CA9TDP1
SCHEMBL21068706 0.84 TSHR (0.47) TSHRNAAACA1CA2CA7
SCHEMBL21068709 0.84 TSHR (0.47) TSHRNAAACA1CA2CA7
SCHEMBL21068961 0.84 TSHR (0.47) TSHRNAAACA1CA2CA7
SCHEMBL7863823 0.83 TSHR (0.54) TSHRNAAACA1CA2CA7

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-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US disclosed
CN-116194084-A Cleavable lipid compounds, compositions containing the same and uses thereof 赛诺菲巴斯德有限公司 2023-05-30 CN disclosed
CN-116134020-A Lipid compounds comprising at least one terminal group of formula-NH-CX-A or-NH-CX-NH-A, compositions containing them and uses thereof 赛诺菲巴斯德有限公司 2023-05-16 CN disclosed
US-11639354-B2 Heterocyclic compound FIMECS, INC. (JP) 2023-05-02 US disclosed
US-20210179614-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2021-06-17 US disclosed
EP-3831811-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2021-06-09 EP disclosed
WO-2020027225-A1 HETEROCYCLIC COMPOUND ファイメクス株式会社 2020-02-06 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-20230242529-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 TSHR 4767/4885NAAA 3990/4885CA1 2393/4885
US-11639354-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 TSHR 4767/4885NAAA 3990/4885CA1 2393/4885
US-20210179614-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 TSHR 4767/4885NAAA 3990/4885CA1 2393/4885

“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.