SCHEMBL10241835

SCHEMBL10241835

CCN(CCOP(=O)(O)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 4/20 0.37
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
FDPS P14324 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3430935 0.84 FDPS (0.36) LPAR3LPAR2LPAR1FDPSALDH1A1
SCHEMBL3430932 0.84 FDPS (0.36) LPAR3LPAR2LPAR1FDPSALDH1A1
SCHEMBL13400464 0.83 LPAR3 (0.47) LPAR3LPAR2LPAR1DRD3MMP1
SCHEMBL3430926 0.82 FDPS (0.33) LPAR3LPAR2LPAR1FDPS
SCHEMBL3430928 0.82 FDPS (0.33) LPAR3LPAR2LPAR1FDPS
SCHEMBL14048919 0.80 FDPS (0.42) LPAR3LPAR2LPAR1ADH1AADH1C
SCHEMBL3429747 0.80 LPAR3 (0.32) LPAR3LPAR2LPAR1FDPS
SCHEMBL3429744 0.80 LPAR3 (0.32) LPAR3LPAR2LPAR1FDPS
SCHEMBL3429557 0.79 LPAR3 (0.33) LPAR3LPAR2LPAR1FDPSDRD3
SCHEMBL3429550 0.79 LPAR3 (0.33) LPAR3LPAR2LPAR1FDPSDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885

“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.