SCHEMBL12522744

SCHEMBL12522744

CC(C=O)C(C)(C)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP19A1 P11511 3/20 0.45
▸ KIF11 P52732 1/20 0.39
▸ KCNA5 P22460 2/20 0.38
▸ CYP3A5 P20815 1/20 0.37

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
SCHEMBL19773391 0.80 CYP19A1 (0.52) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL9858404 0.77 CYP2D6 (0.38) CYP3A4CYP1A2KIF11
SCHEMBL29700962 0.74 CYP19A1 (0.55) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL8606938 0.74 CYP19A1 (0.55) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL27900809 0.73 CYP19A1 (0.53) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL12713543 0.72 CYP19A1 (0.52) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL28803515 0.71 CYP19A1 (0.51) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL28442672 0.71 CYP19A1 (0.51) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL11878647 0.71 CYP19A1 (0.51) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL29583584 0.71 KIF11 (0.61) CYP3A4LMNACYP1A2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 — — US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 — — US disclosed
WO-2009141738-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-11-26 — — 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-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CYP3A4 2281/4885LMNA 153/4885CYP1A2 2738/4885

“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.

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