SCHEMBL16282949

SCHEMBL16282949

C=CCc1ccc(OC(=O)CN)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
PTGS1 P23219 2/20 0.49
ALDH1A1 P00352 4/20 0.48
ALOX5 P09917 4/20 0.48
CYP3A4 P08684 2/20 0.48
AR P10275 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
CNR2 P34972 2/20 0.46
ALDH2 P05091 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4744358 0.86 GABRA1 (0.63) XDHPTGS1ALDH1A1ALOX5CYP3A4
SCHEMBL17208826 0.85 PTGS1 (0.52) XDHPTGS1ALDH1A1ALOX5CYP3A4
SCHEMBL17208829 0.85 XDH (0.51) XDHPTGS1ALDH1A1ALOX5CYP3A4
Hydrochloric Acid SCHEMBL4742209 0.85 GABRA1 (0.61) XDHPTGS1ALDH1A1ALOX5CYP3A4
SCHEMBL6860847 0.83 PTGS1 (0.72) PTGS1ALDH1A1ALOX5CYP3A4AR
SCHEMBL14317293 0.82 PTGS1 (0.49) XDHPTGS1ALDH1A1ALOX5CYP3A4
SCHEMBL4740883 0.80 GABRA1 (0.65) ALOX5GABRA1GABRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL4741020 0.79 GABRA1 (0.64) ALOX5GABRA1GABRB2MEN1KMT2A
SCHEMBL16281906 0.79 PTGS1 (0.49) PTGS1ALDH1A1ALOX5CYP3A4AR
Hydrochloric Acid SCHEMBL4744802 0.78 ALOX5 (0.46) PTGS1ALDH1A1ALOX5CYP3A4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464053-B2 Compositions for reducing Aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS, SA (CH) 2016-10-11 US disclosed
US-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS, SA (CH) 2014-12-11 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-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) PSEN2, APP, PSEN1 XDH 2516/4885PTGS1 3125/4885ALDH1A1 2084/4885

“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.