SCHEMBL21288064

SCHEMBL21288064

CCCCCCCC(C)(CCCCC)n1cc(C(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.38
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP19A1 P11511 6/20 0.33
SLC9A1 P19634 3/20 0.33
DPP4 P27487 1/20 0.31
CYP4Z1 Q86W10 4/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL20832577 0.89 SMPD1 (0.38) SMPD1CYP19A1SLC9A1CYP4Z1
SCHEMBL21946885 0.88 SMPD1 (0.37) SMPD1CYP19A1SLC9A1
SCHEMBL25977052 0.78 NOTUM (0.37) SMPD1CYP19A1
SCHEMBL25982633 0.78 NOTUM (0.37) SMPD1CYP19A1
SCHEMBL18972971 0.76 DPP4 (0.33) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL4224858 0.73 SMPD1 (0.66) SMPD1HRH4HRH3DPP4
SCHEMBL23979222 0.73 GABRA2 (0.36) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18077443 0.72 GABRA2 (0.35) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL23119145 0.71 SMPD1 (0.41) SMPD1CYP19A1
SCHEMBL10089709 0.70 GABRA2 (0.42) HRH4HRH3DPP4GABRA2GABRB2

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-20190254973-A1 COMBINING ORTHOGONAL CHEMISTRIES FOR PREPARATION OF MULTIPLEXED NANOPARTICLES VERILY LIFE SCIENCES LLC (US) 2019-08-22 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-20190254973-A1 COMBINING ORTHOGONAL CHEMISTRIES FOR PREPARATION OF MULTIPLEXED NANOPARTICLES CD47, AGO2, EEA1 SMPD1 599/4885HRH4 4171/4885HRH3 3436/4885

“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.