SCHEMBL20324995

SCHEMBL20324995

CCNCCOc1cccc(CCC(=O)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 8/20 0.49
▸ KCNH2 Q12809 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL21214925 0.88 CYP2D6 (0.48) CYP2D6KCNH2KDM4EALDH1A1GAA
SCHEMBL20372781 0.88 KDM4E (0.53) CYP2D6KCNH2KDM4EALDH1A1GAA
SCHEMBL18592246 0.86 CYP2D6 (0.50) CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL22527260 0.86 CYP2D6 (0.54) CYP2D6KCNH2
SCHEMBL24654411 0.84 CYP2D6 (0.46) CYP2D6KCNH2KDM4EALDH1A1GAA
SCHEMBL22419328 0.84 CYP2D6 (0.48) CYP2D6KCNH2KDM4EALDH1A1GAA
SCHEMBL23350237 0.83 CYP2D6 (0.47) CYP2D6KCNH2KDM4EALDH1A1GAA
SCHEMBL21341911 0.82 MTNR1A (0.46) —
SCHEMBL20046811 0.82 KDM4E (0.51) CYP2D6KDM4EALDH1A1GAA
SCHEMBL18612225 0.82 SCN9A (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 — — US disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 — — US disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES 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 (3 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-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CYP2D6 4632/4885KCNH2 4861/4885KDM4E 3116/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CYP2D6 3098/4885KCNH2 4792/4885KDM4E 1438/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL CYP2D6 4632/4885KCNH2 4861/4885KDM4E 3116/4885

“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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