SCHEMBL2910368

SCHEMBL2910368

CCOC(=O)CC1COCC[N]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MIF P14174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
TNF P01375 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
SCHEMBL2440501 0.83 MIF (0.35) TSHRMGAMGAASIMGAM2
SCHEMBL3945965 0.76 CYP1A2 (0.35) TSHRLMNAALDH1A1GAACYP1A2
SCHEMBL7449462 0.75 KMT2A (0.40) POLBALDH1A1MGAMGAASI
SCHEMBL4921798 0.75 TSHR (0.38) POLBTSHRLMNAALDH1A1L3MBTL1
SCHEMBL2909632 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6343013 0.72 TSHR (0.39) POLBTSHRLMNAALDH1A1MGAM
SCHEMBL6620832 0.72 TSHR (0.39) POLBTSHRLMNAALDH1A1MGAM
SCHEMBL717062 0.72 MGAM (0.35) POLBALDH1A1MGAMGAASI
SCHEMBL2918423 0.72 MGAM (0.35) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL1609131 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 POLB 3329/4885TSHR 4631/4885LMNA 4163/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 POLB 3819/4885TSHR 4671/4885LMNA 3156/4885

“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.