SCHEMBL413295

SCHEMBL413295

CCC(C)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GLS O94925 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CHRNB4 P30926 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
SCHEMBL23502399 0.81 KDM4C (0.44) KDM4CCA1CA2CTSSCTSK
SCHEMBL13821724 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL10031576 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL4141413 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL24882649 0.78 PIK3CD (0.36) ALDH1A1KDM4EHSD17B10RAB9ACA1
SCHEMBL9911469 0.78 KDM4C (0.42) KDM4CALDH1A1KDM4EKMT2AMEN1
SCHEMBL29757439 0.78 KDM4C (0.44) KDM4CALDH1A1CA1CA2CTSS
SCHEMBL29858297 0.77 KDM4C (0.41) KDM4CMMEACECPA1ACE2
SCHEMBL19392024 0.77 EPHX1 (0.39) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL9966002 0.77 EPHX1 (0.39) ALDH1A1KDM4EHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716422-B2 Anionic charge-dynamic polymers for release of cationic agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-05-06 US disclosed
US-8574420-B2 Ultrathin multilayered films for controlled release of anionic reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
US-20130122055-A1 Anionic Charge-Dynamic Polymers for Release of Cationic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-16 US disclosed
US-8324333-B2 Anionic charge-dynamic polymers for release of cationic agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20120065616-A1 Ultrathin Multilayered Films for Controlled Release of Anionic Reagents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-15 US disclosed
US-20100048736-A1 ANIONIC CHARGE-DYNAMIC POLYMERS FOR RELEASE OF CATIONIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-20090105375-A1 Ultrathin Multilayered Films for Controlled Release of Anionic Reagents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 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 (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-20130122055-A1 Anionic Charge-Dynamic Polymers for Release of Cationic Agents PARG, PARN, CHMP4B KDM4C 1269/4885ALDH1A1 4817/4885KDM4E 955/4885
US-20100048736-A1 ANIONIC CHARGE-DYNAMIC POLYMERS FOR RELEASE OF CATIONIC AGENTS PARG, PARN, CHMP4B KDM4C 1269/4885ALDH1A1 4817/4885KDM4E 955/4885

“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.