SCHEMBL20534626

SCHEMBL20534626

OCCCOCCCCOCCCOCCO

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.40
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL8026479 0.97 TSHR (0.67) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL29861938 0.94 MEN1 (0.69) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL168645 0.94
SCHEMBL13625481 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL237717 0.90
SCHEMBL2307153 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL13096950 0.90 MEN1 (0.52) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL12595181 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL22144196 0.90 MEN1 (0.73) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL7576909 0.90 TSHR (0.67) TSHRMAPK1MEN1KMT2ATHRB

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 10 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
EP-3609889-A1 SMALL MOLECULES University Of Dundee (GB) 2020-02-19 EP disclosed
WO-2018189554-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2018-10-18 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-20220127257-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B TSHR 3941/4885MAPK1 2900/4885MEN1 3139/4885
US-11261179-B2 Small molecules ADRM1, MDM2, UBE2B TSHR 3941/4885MAPK1 2900/4885MEN1 3139/4885
US-20210163469-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B TSHR 3941/4885MAPK1 2900/4885MEN1 3139/4885

“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.