SCHEMBL20133273

SCHEMBL20133273

CNc1ccc(OCCOCCOCCOCC(=O)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 14/20 0.55
▸ EPHX2 P34913 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL18612221 1.00 APP (0.55) APPEPHX2KDM4EMAPTALDH1A1
SCHEMBL20133425 1.00 APP (0.55) APPEPHX2KDM4EMAPTALDH1A1
SCHEMBL20372774 0.94 APP (0.49) APPEPHX2RARB
SCHEMBL20046548 0.93 APP (0.47) APPEPHX2
SCHEMBL20133429 0.92 APP (0.46) APPEPHX2
SCHEMBL20234304 0.92 APP (0.46) APPEPHX2
SCHEMBL18592227 0.87 EPHX2 (0.43) APPEPHX2KDM4EMAPTALDH1A1
SCHEMBL18592228 0.87 EPHX2 (0.43) APPEPHX2KDM4EMAPTALDH1A1
SCHEMBL18592230 0.87 EPHX2 (0.43) APPEPHX2KDM4EMAPTALDH1A1
SCHEMBL20234303 0.86 KDM4E (0.43) APPEPHX2KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 — — US disclosed
US-11028088-B2 Modulators of BTK proteolysis and methods of use YALE UNIVERSITY (US) 2021-06-08 — — US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 — — US disclosed
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY 2019-09-12 — — US disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 — — US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 — — 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 (6 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 APP 87/4885EPHX2 2978/4885KDM4E 1212/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL APP 1451/4885EPHX2 2318/4885KDM4E 1254/4885
US-11028088-B2 Modulators of BTK proteolysis and methods of use BTK, CBL, CRBN APP 1477/4885EPHX2 1957/4885KDM4E 1466/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL APP 432/4885EPHX2 924/4885KDM4E 1438/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 APP 1314/4885EPHX2 2599/4885KDM4E 1613/4885
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN APP 1477/4885EPHX2 1957/4885KDM4E 1466/4885

“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.

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