SCHEMBL16884342

SCHEMBL16884342

C1=CCC(c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)=C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
EPHX2 P34913 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TRPV6 Q9H1D0 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SCN9A Q15858 1/20 0.31
ACHE P22303 2/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL16884266 0.79 KDM4E (0.36) CNR2HDAC6KDM4EALDH1A1MEN1
SCHEMBL3360337 0.75 CNR2 (0.46) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL15009152 0.74 ALDH1A1 (0.44) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL16887740 0.72 CNR2 (0.40) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL23977808 0.72 CNR2 (0.42) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL15009200 0.72 MEN1 (0.49) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL15029047 0.72 HDAC6 (0.48) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL16884352 0.71 EPHX2 (0.44) CNR2EPHX2HDAC6KDM4EALDH1A1
SCHEMBL15013412 0.71 ALDH1A1 (0.38) CNR2HDAC6KDM4EALDH1A1MEN1
SCHEMBL16884203 0.71 SLC2A1 (0.42) CNR2KDM4EALDH1A1HTTSMN1; SMN2

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-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 CNR2 4661/4885EPHX2 4332/4885HDAC6 581/4885

“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.