SCHEMBL5086046

SCHEMBL5086046

CC(C)(O)CCc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
CYP19A1 P11511 1/20 0.53
GRM2 Q14416 2/20 0.48
GRM3 Q14832 2/20 0.48
MAPK14 Q16539 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.38
PARP1 P09874 1/20 0.38
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL18201577 0.89 MAOB (0.52) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL14762228 0.85 MAOB (0.59) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL14341098 0.82 MAOB (0.50) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL8247050 0.80 MAOA (0.49) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL8409886 0.79 DRD2 (0.55) TAAR1DRD2DRD1
SCHEMBL15813127 0.79 TAAR1 (0.55) GRM2GRM3TAAR1
SCHEMBL609751 0.79 TAAR1 (0.42) MAOAMAPK14TAAR1DRD2DRD1
SCHEMBL11204314 0.78 MAOB (0.55) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL8953969 0.77 MAOB (0.50) MAOAMAOBCYP19A1GRM2GRM3
SCHEMBL2154372 0.77 MAOB (0.86) MAOAMAOBCYP19A1SIGMAR1CYP3A4

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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed
US-4139561-A RUTHENIUM HYDROGENATION CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-02-13 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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF KEAP1, CBR1, PROC MAOA 254/4885MAOB 304/4885CYP19A1 601/4885

“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.