SCHEMBL381114

SCHEMBL381114

CCOC(=O)C(CC(C)=O)C(=O)c1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PARP1 P09874 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRND Q07001 1/20 0.46

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
SCHEMBL381515 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL14542107 0.91 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1820983 0.89 TSHR (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL3492356 0.84 MAOB (0.60) TSHRMAPK1TDP1L3MBTL1MEN1
SCHEMBL8455914 0.84 TDP1 (0.63) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL3494511 0.83 KMT2A (0.55) ALDH1A1TSHRTDP1NPC1SMN1; SMN2
SCHEMBL380840 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL18073902 0.82 CES2 (0.54) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL2461041 0.81 CES2 (0.53) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1968428 0.81 CES2 (0.53) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 WO 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 ALDH1A1 818/4885TSHR 3607/4885MAPK1 3345/4885

“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.