SCHEMBL25567933

SCHEMBL25567933

CCN(CCC(C)C)C(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 3/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL304559 0.86 MC4R (0.35) ALDH1A1MEN1KMT2ALMNACA1
SCHEMBL25570266 0.84 CA12 (0.40) ALDH1A1TP53HPGDTSHRMEN1
SCHEMBL20780287 0.84 CA12 (0.43) ALDH1A1TP53HPGDTSHRMEN1
SCHEMBL8909949 0.83 KMT2A (0.45) ALDH1A1TP53HPGDTSHRMEN1
SCHEMBL27381735 0.83 TSHR (0.32) ALDH1A1TSHRHDAC1HDAC6CA1
SCHEMBL304558 0.81 MEN1 (0.33) ALDH1A1MEN1KMT2ALMNACA1
SCHEMBL18600473 0.81 CA12 (0.50) ALDH1A1TP53HPGDTSHRLMNA
SCHEMBL7603535 0.81 ALDH1A1 (0.34) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL13301217 0.79 TSHR (0.37) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL16125928 0.78 CA14 (0.39) ALDH1A1MEN1KMT2AHDAC1HDAC6

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-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 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-20230167105-A1 BCL-2 PROTEIN INHIBITORS BCL2, BCL2L1, BCL2L2 ALDH1A1 2821/4885TP53 23/4885HPGD 2009/4885

“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.