SCHEMBL25867491

SCHEMBL25867491

CC(C)C(=O)CCNC(=O)CCC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CASP2 P42575 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NAAA Q02083 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
SCHEMBL10140731 0.80 KMT2A (0.30) KMT2A
SCHEMBL18769017 0.80 CASP2 (0.42) CASP2TSHRMEN1KMT2ANAAA
SCHEMBL23127562 0.80 CASP2 (0.42) CASP2TSHRMEN1KMT2ANAAA
SCHEMBL20224684 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18588478 0.79 ALDH1A1 (0.44) ALDH1A1CASP2TSHRNAAA
SCHEMBL13852384 0.77 POLB (0.40) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL18866882 0.77 CASP2 (0.53) ALDH1A1CASP2SMN1; SMN2NAAA
SCHEMBL20794399 0.77 GAA (0.46) ALDH1A1MEN1MAPTKMT2ANAAA
SCHEMBL29329063 0.77 ALDH1A1 (0.43) ALDH1A1CASP2TSHRMEN1MAPT
SCHEMBL16248535 0.76 ALDH1A1 (0.53) ALDH1A1CASP2TSHR

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 ALDH1A1 2941/4885CASP2 1421/4885TSHR 1619/4885

“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.