SCHEMBL25735002

SCHEMBL25735002

CCCn1cc(CCCC(=O)C(C)(C)C)nn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GGPS1 O95749 3/20 0.44
GBA1 P04062 8/20 0.43
HDAC1 Q13547 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP19A1 P11511 3/20 0.40

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
SCHEMBL18751688 0.86 EPHX2 (0.44) EPHX2GGPS1GBA1HDAC1HRH4
SCHEMBL25734930 0.84 GGPS1 (0.45) EPHX2GGPS1HDAC1
SCHEMBL26382134 0.84 EPHX2 (0.48) EPHX2GBA1HDAC1
SCHEMBL24469396 0.83 EPHX2 (0.41) EPHX2GBA1HRH4HRH3
SCHEMBL25735012 0.82 GGPS1 (0.40) EPHX2GGPS1HDAC1CYP19A1
SCHEMBL25735014 0.82 GGPS1 (0.40) EPHX2GGPS1HDAC1CYP19A1
SCHEMBL20362415 0.81 EPHX2 (0.47) EPHX2GGPS1GBA1HDAC1HRH4
SCHEMBL30237065 0.80 L3MBTL1 (0.55) EPHX2HDAC1HRH4HRH3CYP19A1
SCHEMBL30236057 0.80 EPHX2 (0.44) EPHX2GGPS1GBA1HDAC1HRH4
SCHEMBL25734929 0.79 GGPS1 (0.40) EPHX2GGPS1HDAC1HRH4HRH3

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 EPHX2 1864/4885GGPS1 2039/4885GBA1 387/4885

“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.