SCHEMBL25867489

SCHEMBL25867489

CC(CCC(C)NC(=O)C(C)(C)C)NC(=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL23613007 0.79 ALDH1A1 (0.43) CNR2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL23547248 0.79 CNR2 (0.34) CNR2KDM4EALDH1A1GAACYP2C9
SCHEMBL5814918 0.74 ACACB (0.34) ACACBCNR2KDM4EALDH1A1CYP2C9
SCHEMBL21100818 0.74 ACACB (0.34) ACACBCNR2KDM4EALDH1A1CYP2C9
SCHEMBL21361192 0.74 ACACB (0.34) ACACBCNR2KDM4EALDH1A1CYP2C9
SCHEMBL8847890 0.74 ALDH1A1 (0.46) ACACBCNR2ALDH1A1HPGDTAS1R3
SCHEMBL19699581 0.74 MMP1 (0.48) CNR2KDM4EALDH1A1GAANPSR1
SCHEMBL14707759 0.74 ASAH1 (0.38) CNR2ALDH1A1NPSR1
SCHEMBL13887653 0.74 ASAH1 (0.38) CNR2ALDH1A1NPSR1
SCHEMBL19699582 0.74 MMP1 (0.48) CNR2KDM4EALDH1A1GAANPSR1

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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE USA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-20 — — 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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME SHBG, CYP19A1, GNRHR ACACB 2418/4885CNR2 94/4885KDM4E 660/4885

“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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