SCHEMBL10219798

SCHEMBL10219798

CCCCOC/C=C/C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.50
HCAR2 Q8TDS4 5/20 0.49
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.40
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL712631 0.91 ATM (0.68) ATMMAPTHCAR2ALDH1A1TSHR
SCHEMBL809395 0.91 ATM (0.68) ATMMAPTHCAR2ALDH1A1TSHR
SCHEMBL16297542 0.89 MAPT (0.49) ATMMAPTHCAR2ALDH1A1RAB9A
Diethyl Maleate SCHEMBL29034929 0.85 ATM (0.69) ATMMAPTHCAR2ALDH1A1TSHR
SCHEMBL13966627 0.84 MAPT (0.57) ATMMAPTHCAR2ALDH1A1TSHR
SCHEMBL9070634 0.83 HCAR2 (0.54) ATMMAPTHCAR2ALDH1A1RAB9A
SCHEMBL17884756 0.79 ATM (0.45) ATMMAPTHCAR2ALDH1A1TSHR
SCHEMBL809307 0.79 HCAR2 (0.53) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL25616339 0.79 MAPT (0.60) ATMMAPTHCAR2ALDH1A1
SCHEMBL6661105 0.79 ATM (0.87) ATMMAPTHCAR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-01-08 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA ATM 4347/4885MAPT 2646/4885HCAR2 1813/4885
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines TET1, TET3, TET2 ATM 4178/4885MAPT 3610/4885HCAR2 1640/4885

“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.