SCHEMBL12374528

SCHEMBL12374528

CC(C)(CN)c1cc(CO)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
ALOX15 P16050 5/20 0.37
LMNA P02545 5/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2C9 P11712 2/20 0.37
NR1I2 O75469 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KLF10 Q13118 1/20 0.37
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
TAAR1 Q96RJ0 4/20 0.36
RECQL P46063 3/20 0.36
APEX1 P27695 2/20 0.36
ADRA1A P35348 2/20 0.36
MTOR P42345 2/20 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
SCHEMBL5175624 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL5983335 0.78 TAAR1 (0.45) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL12374570 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL12405380 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15TYRKDM4EMAPT
SCHEMBL81339 0.73 KIF11 (0.49) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL8418968 0.72 ALOX15 (0.48) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL10950826 0.72 ALDH1A1 (0.55) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL144360 0.71 ALDH1A1 (0.58) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL12374527 0.70 TTR (0.33) ALDH1A1MAPTGAAPOLBGFER
SCHEMBL9489396 0.70 ESR1 (0.48) ALDH1A1ALOX15LMNAHSD17B10CYP2C9

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-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 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-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 ALDH1A1 3120/4885ALOX15 4157/4885LMNA 4341/4885

“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.