SCHEMBL14930765

SCHEMBL14930765

COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
GAA P10253 1/20 0.32
SCN9A Q15858 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL14930050 0.88 ALDH1A1 (0.38) MAPTL3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL4999364 0.82 CTSD (0.39) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL14029889 0.80 KMT2A (0.45) MAPTL3MBTL1LMNANPC1HPGD
SCHEMBL1018574 0.79 CHEK1 (0.41) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL14930787 0.77 CYP3A4 (0.51) LMNASMN1; SMN2BACE1
SCHEMBL1019040 0.77 P2RX3 (0.41) MAPTLMNAHPGDALDH1A1POLB
SCHEMBL31425472 0.77 P2RX3 (0.41) MAPTLMNAHPGDALDH1A1POLB
SCHEMBL14381333 0.76 P2RX3 (0.43) LMNASMN1; SMN2
SCHEMBL14029802 0.76 GAA (0.53) MAPTLMNANPC1HPGDRAB9A
SCHEMBL5002661 0.75 KMT2A (0.47) MAPTL3MBTL1LMNANPC1RAB9A

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-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 MAPT 2935/4885L3MBTL1 2011/4885LMNA 4630/4885

“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.