SCHEMBL21458792

SCHEMBL21458792

COC(=O)C(c1cc(OCCCCOCCOCc2ccccc2)no1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 2/20 0.37
NAAA Q02083 1/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GABRA5 P31644 1/20 0.36
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL25194754 0.96 SMPD1 (0.41) SMPD1SMN1; SMN2NR4A2NPC1RAB9A
SCHEMBL30599028 0.87 SMPD1 (0.51) SMPD1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21405062 0.84 SMPD1 (0.40) SMPD1
SCHEMBL21458376 0.84 SMPD1 (0.42) SMPD1ADRB2ADRB3SMN1; SMN2NPC1
SCHEMBL23881143 0.83 SMPD1 (0.37) SMPD1KMT2AKDM4E
SCHEMBL21458950 0.83 SMPD1 (0.41) SMPD1
SCHEMBL25202546 0.80 SMPD1 (0.38) SMPD1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25594025 0.80 SMPD1 (0.56) SMPD1NPC1
SCHEMBL21405032 0.80 SMPD1 (0.37) SMPD1KMT2A
SCHEMBL26683459 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1

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 1144/4885ADRB2 4600/4885ADRB1 4691/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SMPD1 1144/4885ADRB2 4600/4885ADRB1 4691/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 SMPD1 3186/4885ADRB2 4081/4885ADRB1 4004/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL SMPD1 1144/4885ADRB2 4600/4885ADRB1 4691/4885

“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.