SCHEMBL18014692

SCHEMBL18014692

CC(C)(C)CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.51
FABP5 Q01469 2/20 0.51
MAOA P21397 9/20 0.50
MAOB P27338 9/20 0.50
GRIN1 Q05586 7/20 0.50
GRIN2A Q12879 7/20 0.50
GRIN2B Q13224 7/20 0.50
ACHE P22303 3/20 0.50
SIGMAR1 Q99720 3/20 0.49
PGR P06401 1/20 0.49
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
RORB Q92753 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL22298166 0.84 PGR (0.49) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL4552481 0.81 FABP4 (0.68) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL4552166 0.81 FABP4 (0.64) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL4729150 0.81 FABP4 (0.51) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL5181736 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL6338101 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL5658338 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL10063551 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBGRIN1
SCHEMBL16577620 0.78 TDP1 (0.66) PGRRORARORCRORBALDH1A1
SCHEMBL1335135 0.78 PGR (0.73) FABP4FABP5MAOAMAOBGRIN1

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 FABP4 4159/4885FABP5 3267/4885MAOA 1066/4885

“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.