SCHEMBL3735441

SCHEMBL3735441

CCCC1CCC(OS(=O)(=O)C(F)(F)F)=C(C(=O)OC)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
HTR1D P28221 3/20 0.36
DRD4 P21917 2/20 0.33
HTR5A P47898 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 2/20 0.32
DRD1 P21728 1/20 0.31
DRD5 P21918 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
SCHEMBL4548474 0.90 DRD2 (0.35) ALDH1A1DRD2DRD3HTR1DDRD4
SCHEMBL10014981 0.81 DRD2 (0.40) ALDH1A1KMT2ADRD2DRD3HTR1D
SCHEMBL4548487 0.79 DRD2 (0.32) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3598479 0.74 CXCR2 (0.32) DRD2DRD3HTR1D
SCHEMBL3589428 0.74 CXCR2 (0.32) DRD2DRD3HTR1D
SCHEMBL502662 0.74 SLC6A3 (0.37)
SCHEMBL4548472 0.74 SLC6A3 (0.39) ALDH1A1MAPT
SCHEMBL13920731 0.74 HCAR2 (0.36) DRD2DRD3HTR1DHCAR2
SCHEMBL13933933 0.74 ALDH1A1 (0.33) ALDH1A1KMT2ADRD2DRD3HTR1D
SCHEMBL17532276 0.73 DRD2 (0.35) DRD2DRD3HTR1DDRD4HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079840-A9 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-12 WO disclosed
EP-1963298-B1 Benzochromene derivatives MERCK PATENT GMBH (DE) 2011-11-02 EP disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
WO-2007079840-A2 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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-20090023802-A1 Benzochromene Derivatives SBDS, CRY1, DDT ALDH1A1 676/4885KMT2A 4195/4885DRD2 168/4885

“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.