SCHEMBL9999557

SCHEMBL9999557

CC(C)C(N)Cn1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
CYP19A1 P11511 2/20 0.44
TBXAS1 P24557 3/20 0.42
HMOX1 P09601 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
QPCT Q16769 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1369052 0.83
SCHEMBL14738593 0.83
Bromide SCHEMBL18191796 0.82 FDPS (0.47) FDPSCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL18028285 0.80 FDPS (0.46) FDPSCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL21316528 0.80 FDPS (0.46) FDPSCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL25067258 0.79 FDPS (0.48) FDPSCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL12251321 0.79 TBXAS1 (0.50) FDPSCYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL28961361 0.79
SCHEMBL171211 0.79
SCHEMBL22710046 0.78 FDPS (0.44) FDPSCYP19A1TBXAS1CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF TRUSTEES OF TUFTS COLLEGE 2020-11-26 US disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO 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-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF APOB, LDLR, LIPA FDPS 2276/4885CYP19A1 3360/4885TBXAS1 437/4885

“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.