SCHEMBL23441237

SCHEMBL23441237

[CH2]COCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NAAA Q02083 1/20 0.53
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
IDO1 P14902 1/20 0.43
LTA4H P09960 1/20 0.42
AGXT P21549 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TACR1 P25103 2/20 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
SCHEMBL9489594 1.00 TSHR (0.58) TSHRNAAACA1CA2CA7
SCHEMBL2401846 1.00 TSHR (0.58) TSHRNAAACA1CA2CA7
SCHEMBL1890425 0.98 TSHR (0.61) TSHRNAAACA1CA2CA7
SCHEMBL27710140 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL26189828 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL3701483 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL10895400 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL4608747 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL9505432 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL9341880 0.87 TSHR (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US 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

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.