SCHEMBL24677537

SCHEMBL24677537

CCOC(=O)C(CC(C)(C)C1CCCCCCC1)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
METAP2 P50579 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
FKBP1A P62942 2/20 0.34

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
SCHEMBL25198909 0.76 CYP2D6 (0.40) CYP2D6ALDH1A1NPSR1TSHRMETAP2
SCHEMBL6483909 0.76 KMT2A (0.41) CYP2D6ALDH1A1NPSR1L3MBTL1THRB
SCHEMBL9359628 0.73 SMN1; SMN2 (0.32) ALDH1A1NPSR1CHRM2CHRM4CHRM1
SCHEMBL8330172 0.72 METAP2 (0.53) ALDH1A1NPSR1TSHRMETAP2L3MBTL1
SCHEMBL12691593 0.72 MMP8 (0.37) CYP2D6ALDH1A1NPSR1TSHRMETAP2
SCHEMBL25536207 0.72 TSHR (0.38) CYP2D6ALDH1A1NPSR1TSHRMETAP2
SCHEMBL25517969 0.72 ALDH1A1 (0.37) CYP2D6ALDH1A1NPSR1TSHRMETAP2
SCHEMBL9205786 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL19071938 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1THRBATMCHRM2
SCHEMBL11021965 0.72 METAP2 (0.43) ALDH1A1NPSR1TSHRMETAP2L3MBTL1

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-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE BRISTOL MYERS SQUIBB CO (US) 2022-10-06 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-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE APLNR, AP2B1, AP3B1 CYP2D6 2571/4885ALDH1A1 1981/4885NPSR1 59/4885

“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.