SCHEMBL4134482

SCHEMBL4134482

CCOC(=O)COc1c(C)cc(OC)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 6/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ABCB1 P08183 1/20 0.40
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL14735306 0.85 KDM4E (0.55) HPGDL3MBTL1KDM4EHSD17B10
SCHEMBL4143361 0.82 KDM4E (0.51) CASP3CASP7CASP9ALDH1A1CYP1A2
SCHEMBL4138753 0.82 CASP3 (0.46) CASP3CASP7CASP9ALDH1A1CYP1A2
SCHEMBL14735435 0.77 HPGD (0.45) ALDH1A1CYP1A2CYP2C19HPGDCYP3A4
SCHEMBL5356914 0.77 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C19HPGDCYP3A4
SCHEMBL1573002 0.77 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C19HPGDCYP3A4
SCHEMBL25143181 0.75 HPGD (0.60) CASP3CASP7CASP9ALDH1A1CYP1A2
SCHEMBL4146426 0.75 ALDH1A1 (0.54) CASP3CASP7CASP9ALDH1A1HPGD
SCHEMBL10422136 0.75 CDC25B (0.46) ALDH1A1CYP1A2CYP2C19HPGDCYP3A4
SCHEMBL2565863 0.74 CDC25B (0.43) ALDH1A1HPGDCYP3A4MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (4 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A CASP3 820/4885CASP7 2156/4885CASP9 2781/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C CASP3 1190/4885CASP7 1746/4885CASP9 4176/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C CASP3 1190/4885CASP7 1746/4885CASP9 4176/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 CASP3 873/4885CASP7 2278/4885CASP9 2531/4885

“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.