SCHEMBL4242007

SCHEMBL4242007

COC(=O)C1=C(O)C(CC(C)C)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
FFAR3 O14843 2/20 0.38
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
HTT P42858 1/20 0.33
NR0B1 P51843 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL31202904 0.82 KDM4E (0.55) KDM4EALDH1A1GAAHTTNR0B1
SCHEMBL9867135 0.82 KDM4E (0.41) KDM4EALDH1A1GAAHTTNR0B1
SCHEMBL4244153 0.82 KDM4E (0.41) KDM4EALDH1A1GAAHTTNR0B1
SCHEMBL28649647 0.79 SMN1; SMN2 (0.40) KDM4EALDH1A1GAANR0B1MEN1
SCHEMBL4246617 0.75 FFAR3 (0.38) KDM4EFFAR3GAA
SCHEMBL4248362 0.74 ALDH1A1 (0.34) KDM4EALDH1A1GAANR0B1KMT2A
SCHEMBL4237629 0.72 KMT2A (0.44) KDM4EALDH1A1GAAHTTNR0B1
SCHEMBL4244260 0.72 KMT2A (0.54) KDM4EALDH1A1NR0B1MEN1KMT2A
SCHEMBL13743994 0.70 PGR (0.46) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL4240492 0.70 HPGD (0.50) ALDH1A1GAAHTTMEN1KMT2A

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-10011589-B2 Treatments for gastrointestinal conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-03 US disclosed
US-20170073332-A1 Treatments for Gastrointestinal Conditions ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2017-03-16 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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 (3 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-10011589-B2 Treatments for gastrointestinal conditions SI, FABP2, SLC10A2 KDM4E 4757/4885FFAR3 3903/4885ALDH1A1 2166/4885
US-20170073332-A1 Treatments for Gastrointestinal Conditions SI, FABP2, SLC10A2 KDM4E 4757/4885FFAR3 3903/4885ALDH1A1 2166/4885
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 KDM4E 3718/4885FFAR3 3076/4885ALDH1A1 3119/4885

“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.