SCHEMBL13416645

SCHEMBL13416645

CC(C)c1ccc(CCON(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FKBP1A P62942 1/20 0.38
MAPT P10636 1/20 0.38
PYCR1 P32322 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RAB9A P51151 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13416675 0.89 IDO1 (0.42) IDO1L3MBTL1PPARGPPARDPPARA
SCHEMBL10587274 0.79 IDO1 (0.48) IDO1L3MBTL1PPARGPPARDPPARA
SCHEMBL13416551 0.79 CYP1A2 (0.45) IDO1L3MBTL1MAPT
SCHEMBL2362990 0.78 IDO1 (0.52) IDO1L3MBTL1PPARGPPARDPPARA
SCHEMBL17660203 0.76 L3MBTL1 (0.58) IDO1L3MBTL1PPARGPPARDPPARA
SCHEMBL14135475 0.76 ESR1 (0.54) IDO1L3MBTL1ALDH1A1CHRM2CHRM1
SCHEMBL10729588 0.75 IDO1 (0.56) IDO1L3MBTL1ALDH1A1FKBP1APYCR1
SCHEMBL10053298 0.73 L3MBTL1 (0.44) IDO1L3MBTL1PPARGPPARDPPARA
SCHEMBL2222047 0.71 CA2 (0.52) IDO1L3MBTL1ALDH1A1FKBP1AMAPT
SCHEMBL10613207 0.70 IDO1 (0.44) IDO1L3MBTL1PPARGPPARDPPARA

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 IDO1 645/4885L3MBTL1 4429/4885PPARG 3312/4885

“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.