SCHEMBL23700016

SCHEMBL23700016

O=C(c1cnn2c(=O)cc(-c3ccc(C4CCCCC4)cc3)[nH]c12)N1CCC1CF

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAT P00750 15/20 0.38
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC22A12 Q96S37 2/20 0.34
MGLL Q99685 1/20 0.33
CDC7 O00311 1/20 0.32

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
SCHEMBL23700014 1.00 PLAT (0.38) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23700010 0.86 PLAT (0.40) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23699980 0.85 PLAT (0.38) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23699982 0.85 PLAT (0.38) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23700003 0.85 PLAT (0.38) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23198893 0.85 PLAT (0.38) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23699987 0.85 PLAT (0.50) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23198888 0.83 PLAT (0.46) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23700028 0.82 PLAT (0.45) PLATHSP90AA1GAAMAPTKMT2A
SCHEMBL23700020 0.82 PLAT (0.47) PLATHSP90AA1GAAMAPTKMT2A

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-20210238184-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-08-05 US claimed
US-20210238184-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-08-05 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-20210238184-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, KRAS PLAT 3945/4885HSP90AA1 461/4885GAA 3790/4885

“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.