SCHEMBL14080010

SCHEMBL14080010

CC1(N2CCOCC2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.33
PIK3CD O00329 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14079963 0.92 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL9275287 0.87 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL1515242 0.87 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL3652178 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL3756826 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL14079934 0.85 KDM4E (0.35) ALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL12774148 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EMGLLGAA
SCHEMBL24402051 0.81 ALDH1A1 (0.36) ALDH1A1MGLLPIK3CD
SCHEMBL20211307 0.81 ALDH1A1 (0.36) ALDH1A1MGLLPIK3CD
SCHEMBL522388 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMGLLGAAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 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 (2 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-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 ALDH1A1 3381/4885L3MBTL1 3540/4885KDM4E 2465/4885
US-20080200433-A1 Molecular Chaperone Function Regulator HSPBP1, HSF1, HSPH1 ALDH1A1 2634/4885L3MBTL1 2716/4885KDM4E 3574/4885

“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.