SCHEMBL24761882

SCHEMBL24761882

CC(NC(C)(C)C)c1ccc(C2CC[C@@H](OCC(C)(C)C)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ACACB O00763 11/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30
▸ GPR139 Q6DWJ6 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
SCHEMBL24761890 1.00 FFAR4 (0.34) FFAR4ACACBMEN1KMT2ASMN1; SMN2
SCHEMBL18591735 0.73 ACACB (0.48) ACACB
SCHEMBL18591722 0.73 ACACB (0.48) ACACB
SCHEMBL18591774 0.71 PRCP (0.42) —
SCHEMBL20325664 0.66 ACACB (0.42) ACACB
SCHEMBL24092111 0.66 HTT (0.39) ACACBADRB2
SCHEMBL21472727 0.64 ACACB (0.47) ACACB
SCHEMBL25464247 0.61 — —
SCHEMBL13141345 0.61 CYP2C19 (0.32) MEN1KMT2A
SCHEMBL14176509 0.61 ACACB (0.42) ACACB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL FFAR4 4098/4885ACACB 3205/4885MEN1 2168/4885

“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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