SCHEMBL23405397

SCHEMBL23405397

c1ccc(COCCCCCOCCOCCOCCOCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
NAAA Q02083 3/20 0.55
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
EPHX2 P34913 2/20 0.48
GBA1 P04062 2/20 0.47
UGCG Q16739 2/20 0.47
GBA2 Q9HCG7 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
IDO1 P14902 1/20 0.44
LTA4H P09960 1/20 0.43
AGXT P21549 1/20 0.43

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
SCHEMBL20535824 1.00 TSHR (0.61) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL16595002 0.98 TSHR (0.64) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL21184508 0.98 TSHR (0.64) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL25195898 0.98 TSHR (0.64) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL16594712 0.95 TSHR (0.61) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011715 0.95 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011734 0.95 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011595 0.95 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011624 0.95 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011646 0.95 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573507-B Small molecules 邓迪大学 2023-11-14 CN disclosed
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 EP disclosed
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 EP disclosed
US-20220127257-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2022-04-28 US disclosed
US-20220127257-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2022-04-28 US disclosed
US-11261179-B2 Small molecules UNIVERSITY OF DUNDEE (GB) 2022-03-01 US disclosed
US-20210163469-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2021-06-03 US disclosed
US-20210163469-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2021-06-03 US disclosed
CN-110573507-A small molecules 邓迪大学 2019-12-13 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 (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-20220127257-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B TSHR 3941/4885L3MBTL1 529/4885TDP1 3786/4885
US-11261179-B2 Small molecules ADRM1, MDM2, UBE2B TSHR 3941/4885L3MBTL1 529/4885TDP1 3786/4885
US-20210163469-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B TSHR 3941/4885L3MBTL1 529/4885TDP1 3786/4885

“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.