SCHEMBL20535201

SCHEMBL20535201

CC(C)(C)OC(=O)COCCOCCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CTSK P43235 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CES2 O00748 2/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL20535618 1.00 APLNR (0.35) APLNRDGAT1CYP2D6HDAC3HDAC1
SCHEMBL25182441 1.00 APLNR (0.35) APLNRDGAT1CYP2D6HDAC3HDAC1
SCHEMBL20535616 1.00 APLNR (0.35) APLNRDGAT1CYP2D6HDAC3HDAC1
SCHEMBL13907508 0.98 APLNR (0.36) APLNRDGAT1CYP2D6HDAC3HDAC1
SCHEMBL20535026 0.92 CES2 (0.39) APLNRCYP2D6TDP1CA12CA2
SCHEMBL23405409 0.92 CES2 (0.43) APLNRHDAC1HDAC2HDAC6TDP1
SCHEMBL21876660 0.92 DGAT1 (0.33) APLNRDGAT1CYP2D6CA12CA2
SCHEMBL23451362 0.92 DGAT1 (0.33) APLNRDGAT1CYP2D6CA12CA2
SCHEMBL20534803 0.92 VCAM1 (0.33) APLNRCYP2D6SMN1; SMN2HSD17B10
SCHEMBL21348710 0.92 ALDH1A1 (0.42) APLNRCYP2D6CES2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312639-A1 GPER PROTEOLYTIC TARGETING CHIMERAS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-10-05 US disclosed
US-20230312639-A1 GPER PROTEOLYTIC TARGETING CHIMERAS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-10-05 US disclosed
US-20230312639-A1 GPER PROTEOLYTIC TARGETING CHIMERAS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-10-05 US disclosed
CN-115835886-A GPER proteolytic targeting chimeras 衣阿华大学研究基金会 2023-03-21 CN disclosed
EP-4138921-A1 GPER PROTEOLYTIC TARGETING CHIMERAS University Of Iowa Research Foundation (US) 2023-03-01 EP 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
WO-2021217036-A1 GPER PROTEOLYTIC TARGETING CHIMERAS SALEM ALIASGER K (US) 2021-10-28 WO 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
CN-110573507-A small molecules 邓迪大学 2019-12-13 CN disclosed
WO-2019078522-A1 CEREBLON PROTEIN DEGRADATION INDUCING COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2019-04-25 WO 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 (4 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-20230312639-A1 GPER PROTEOLYTIC TARGETING CHIMERAS GPER1, ESR1, ADRM1 APLNR 179/4885DGAT1 2938/4885CYP2D6 1606/4885
US-20220127257-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B APLNR 3086/4885DGAT1 4569/4885CYP2D6 2033/4885
US-11261179-B2 Small molecules ADRM1, MDM2, UBE2B APLNR 3086/4885DGAT1 4569/4885CYP2D6 2033/4885
US-20210163469-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B APLNR 3086/4885DGAT1 4569/4885CYP2D6 2033/4885

“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.