SCHEMBL20330179

SCHEMBL20330179

CC(C)C(=O)Cc1cccc(C(=O)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DBH P09172 1/20 0.44
RECQL P46063 1/20 0.44
F10 P00742 1/20 0.43
FOLH1 Q04609 1/20 0.40
MEP1B Q16820 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL21099952 0.85 ITGA4 (0.48) ITGA4ITGB7F10CYP1A2
SCHEMBL21099789 0.83 ITGA4 (0.49) ITGA4ITGB7F10FOLH1MEP1B
SCHEMBL22651791 0.83 CYP4F2 (0.43) ITGA4ITGB7GAAKDM4EDBH
SCHEMBL10277237 0.82 BCL2 (0.47) GAAKDM4EDBHRECQLFOLH1
SCHEMBL10209858 0.82 SLC7A5 (0.54) ITGA4ITGB7GAAKDM4EDBH
SCHEMBL22668308 0.81 LOXL2 (0.60) GAAKDM4EDBHRECQLFOLH1
SCHEMBL10019208 0.81 FOLH1 (0.46) GAAKDM4EDBHRECQLFOLH1
SCHEMBL14519856 0.81 GAA (0.46) GAAKDM4EDBHRECQLFOLH1
SCHEMBL15761203 0.81 GAA (0.46) GAAKDM4EDBHRECQLF10
SCHEMBL7945435 0.79 GAA (0.59) GAAKDM4EDBHRECQLF10

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2021-12-07 US disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 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 (9 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-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL ITGA4 4762/4885ITGB7 4812/4885GAA 2975/4885
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL ITGA4 4677/4885ITGB7 4603/4885GAA 486/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ITGA4 2773/4885ITGB7 3922/4885GAA 1274/4885
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ITGA4 2895/4885ITGB7 1521/4885GAA 4062/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 ITGA4 2895/4885ITGB7 1521/4885GAA 4062/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL ITGA4 4250/4885ITGB7 4340/4885GAA 466/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL ITGA4 4677/4885ITGB7 4603/4885GAA 486/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL ITGA4 4677/4885ITGB7 4603/4885GAA 486/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL ITGA4 4762/4885ITGB7 4812/4885GAA 2975/4885

“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.