SCHEMBL15029047

SCHEMBL15029047

OCc1ccc(CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TRPV6 Q9H1D0 1/20 0.39
ACHE P22303 2/20 0.39
SCN9A Q15858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
PAX8 Q06710 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
SCHEMBL23977808 0.84 CNR2 (0.42) HDAC6KDM4EALDH1A1CNR2HDAC3
SCHEMBL15009200 0.81 MEN1 (0.49) HDAC6KDM4EALDH1A1CNR2HDAC3
SCHEMBL3360337 0.81 CNR2 (0.46) HDAC6KDM4EALDH1A1CNR2TRPV6
SCHEMBL2404834 0.75 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2404841 0.75 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL25775848 0.74 HDAC6 (0.48) HDAC6KDM4EALDH1A1CNR2HDAC3
SCHEMBL1072145 0.72 POLB (0.60) KDM4EALDH1A1CNR2KMT2AMAPK1
SCHEMBL2408019 0.72 KDM4E (0.44) HDAC6KDM4EALDH1A1CNR2HDAC3
SCHEMBL2408017 0.72 KDM4E (0.44) HDAC6KDM4EALDH1A1CNR2HDAC3
SCHEMBL16884342 0.72 CNR2 (0.39) HDAC6KDM4EALDH1A1CNR2TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
WO-2021219078-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF 上海科技大学 (CN) 2021-11-04 WO disclosed
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-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
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 (2 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 HDAC6 581/4885KDM4E 4563/4885ALDH1A1 3831/4885
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF HDAC6 452/4885KDM4E 4035/4885ALDH1A1 568/4885

“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.