SCHEMBL16194686

SCHEMBL16194686

CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C.O=C1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.51
CYP2A6 P11509 1/20 0.51
CES1 P23141 1/20 0.37
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33
GRM5 P41594 2/20 0.33
ACHE P22303 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
SRD5A1 P18405 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMAD3 P84022 1/20 0.32
TYMS P04818 1/20 0.31
PRKCI P41743 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
SCHEMBL22122554 0.81 CA1 (0.30)
SCHEMBL5050048 0.74 MAOA (0.91) MAOBMAOACYP2A6CES1MAPT
SCHEMBL29351871 0.71 MAOA (1.00) MAOBMAOACYP2A6CES1MAPT
SCHEMBL44545 0.71 MAOA (1.00) MAOBMAOACYP2A6CES1MAPT
Cyclopropane SCHEMBL27540682 0.71 MAOA (1.00) MAOBMAOACYP2A6CES1MAPT
SCHEMBL29353311 0.71 MAOA (0.74) MAOBMAOACYP2A6CES1GRM5
SCHEMBL1268680 0.71 MAOA (0.74) MAOBMAOACYP2A6CES1GRM5
SCHEMBL24746 0.71 MAOA (0.74) MAOBMAOACYP2A6CES1GRM5
Methyl Alcohol SCHEMBL11482048 0.69 MAOA (0.88) MAOBMAOACYP2A6CES1MAPT
Methane SCHEMBL28944934 0.69 MAOA (0.95) MAOBMAOACYP2A6CES1MAPT

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-20140322156-A1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO. KGAA (DE) 2014-10-30 US claimed
US-20140322156-A1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO. KGAA (DE) 2014-10-30 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-20140322156-A1 PROCESS FOR REDUCING MALODOURS ALDH7A1, ACMSD, MAL2 MAOB 900/4885MAOA 888/4885CYP2A6 1581/4885

“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.