SCHEMBL21458376

SCHEMBL21458376

COC(=O)C(c1cc(OCCCCOCCO)no1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.42
VHL P40337 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB3 P13945 1/20 0.30
THRB P10828 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25202546 0.94 SMPD1 (0.38) SMPD1VHLSMN1; SMN2THRBNPC1
SCHEMBL21405062 0.93 SMPD1 (0.40) SMPD1
SCHEMBL21405138 0.91 SMPD1 (0.40) SMPD1VHLSMN1; SMN2HSD17B10THRB
SCHEMBL21405008 0.90 SMPD1 (0.42) SMPD1VHLSMN1; SMN2MAPTTHRB
SCHEMBL21458950 0.89 SMPD1 (0.41) SMPD1VHLMAPTHSD17B10
SCHEMBL23881143 0.85 SMPD1 (0.37) SMPD1
SCHEMBL25207691 0.84 SMPD1 (0.45) SMPD1VHLTHRBHRH3HPGD
SCHEMBL25211458 0.84 SMPD1 (0.45) SMPD1VHLTHRBHRH3HPGD
SCHEMBL25194983 0.84 SMPD1 (0.45) SMPD1VHLTHRBHRH3HPGD
SCHEMBL25203296 0.84 SMPD1 (0.45) SMPD1VHLTHRBHRH3HPGD

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
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SMPD1 1144/4885VHL 3/4885SMN1; SMN2 697/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SMPD1 1144/4885VHL 3/4885SMN1; SMN2 697/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 SMPD1 3186/4885VHL 37/4885SMN1; SMN2 903/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL SMPD1 1144/4885VHL 3/4885SMN1; SMN2 697/4885

“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.