SCHEMBL15028985

SCHEMBL15028985

Cc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.38
TRPV6 Q9H1D0 1/20 0.37
ACHE P22303 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36

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
Hydrochloric Acid SCHEMBL15013165 0.99 CNR2 (0.51) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL15013342 0.78 CNR2 (0.65) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL3360337 0.77 CNR2 (0.46) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL15013129 0.77 CNR2 (0.50) CNR2HDAC6SMN1; SMN2ALDH1A1HPGD
SCHEMBL15014243 0.76 CNR2 (0.39) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL15009255 0.75 CNR2 (0.57) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL16884186 0.75 CNR2 (0.69) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL15009596 0.74 CNR2 (0.60) CNR2HDAC6SMN1; SMN2LMNAKDM4E
SCHEMBL15013262 0.73 NR3C1 (0.50) CNR2HDAC6LMNAMEN1KMT2A
SCHEMBL15009244 0.73 CNR2 (0.62) CNR2HDAC6SMN1; SMN2LMNAKDM4E

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 5 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-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
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
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 CNR2 4661/4885HDAC6 581/4885SMN1; SMN2 4878/4885

“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.