SCHEMBL25735014

SCHEMBL25735014

CCCC(C)Cn1cc(CCCC(=O)C(C)(C)C)nn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.40
HDAC1 Q13547 6/20 0.38
EPHX2 P34913 1/20 0.38
GPR88 Q9GZN0 1/20 0.36
CYP19A1 P11511 3/20 0.36
NEU4 Q8WWR8 1/20 0.35
NEU1 Q99519 1/20 0.35
NEU3 Q9UQ49 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL25735002 0.82 EPHX2 (0.47) GGPS1HDAC1EPHX2CYP19A1
SCHEMBL25734930 0.78 GGPS1 (0.45) GGPS1HDAC1EPHX2
SCHEMBL25735012 0.76 GGPS1 (0.40) GGPS1HDAC1EPHX2CYP19A1L3MBTL1
SCHEMBL25735013 0.76 CYP19A1 (0.37) HDAC1CYP19A1
SCHEMBL18751688 0.74 EPHX2 (0.44) GGPS1HDAC1EPHX2
SCHEMBL18625971 0.74 CYP19A1 (0.51) GGPS1CYP19A1L3MBTL1
SCHEMBL26382134 0.73 EPHX2 (0.48) HDAC1EPHX2
SCHEMBL22854014 0.73 CYP19A1 (0.38) HDAC1CYP19A1
SCHEMBL25734932 0.72 MIF (0.39) GGPS1HDAC1EPHX2
SCHEMBL24469396 0.71 EPHX2 (0.41) EPHX2

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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, CD47 GGPS1 2039/4885HDAC1 2523/4885EPHX2 1864/4885

“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.