SCHEMBL12391184

SCHEMBL12391184

CCC(CC)c1cn(C(CC)CC)nn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.33
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL21538542 0.75 ACHE (0.35) ACHECYP19A1
SCHEMBL18367683 0.74 ACHE (0.33) ACHE
SCHEMBL24775851 0.72 CYP19A1 (0.38) CYP19A1
SCHEMBL21419598 0.68 ACHE (0.36) ACHECYP19A1
SCHEMBL18790863 0.68 IDO1 (0.34) CYP19A1
SCHEMBL21419563 0.67 ACHE (0.35) ACHE
SCHEMBL22280519 0.67 ACHE (0.35) ACHE
SCHEMBL24704471 0.65 — —
SCHEMBL21953543 0.65 CYP19A1 (0.38) CYP19A1
SCHEMBL24253354 0.64 CYP19A1 (0.37) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580820-B2 Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof KEMTECH S.R.L. (IT) 2013-11-12 — — US disclosed
US-8580820-B2 Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof KEMTECH S.R.L. (IT) 2013-11-12 — — US disclosed
US-20110200581-A1 PHARMACEUTICAL COMPOSITIONS KEMOTECH S.r.I (IT) 2011-08-18 — — US disclosed
US-20110200581-A1 PHARMACEUTICAL COMPOSITIONS KEMOTECH S.r.I (IT) 2011-08-18 — — 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-20110200581-A1 PHARMACEUTICAL COMPOSITIONS NR1H3, NR1H2, CCR8 ACHE 3638/4885CYP19A1 1078/4885

“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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