SCHEMBL17265277

SCHEMBL17265277

CC(C)=CCC(O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
PKM P14618 1/20 0.33
COPS5 Q92905 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL17265221 1.00 ALOX15 (0.34) ALOX15ALDH1A1GRIK1GRIK2PKM
SCHEMBL200835 0.80 KMT2A (0.56) ALOX15ALDH1A1KDM4E
SCHEMBL30746736 0.80 GRIK1 (0.34) ALOX15ALDH1A1GRIK1GRIK2PKM
SCHEMBL27956524 0.77
SCHEMBL1660268 0.77
SCHEMBL3512199 0.76 LMNA (0.36) ALOX15ALDH1A1GRIK1GRIK2KDM4E
SCHEMBL1782342 0.75
SCHEMBL1782344 0.75
SCHEMBL28835360 0.75
SCHEMBL10366803 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329582-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-11-19 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 (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-20150329582-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS MANBA, DDOST, PGLS ALOX15 3645/4885ALDH1A1 4342/4885GRIK1 4822/4885

“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.