SCHEMBL4930004

SCHEMBL4930004

CCOC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.60
ALDH1A1 P00352 2/20 0.55
NR1H4 Q96RI1 1/20 0.52
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADAM17 P78536 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5527779 0.89 P4HTM (0.64) P4HTMALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL20590810 0.88 P4HTM (0.63) P4HTMALDH1A1NR1H4RAB9ANPC1
SCHEMBL70341 0.83 ALDH1A1 (0.63) ALDH1A1NR1H4RAB9ANPC1LMNA
SCHEMBL226698 0.82 P4HTM (0.69) P4HTMALDH1A1NR1H4RAB9ANPC1
SCHEMBL5267211 0.82 ALDH1A1 (0.43) P4HTMALDH1A1RAB9ANPC1LMNA
SCHEMBL30350378 0.82 P4HTM (0.73) P4HTMALDH1A1RAB9ANPC1GABRA1
SCHEMBL21588085 0.82 P4HTM (0.73) P4HTMALDH1A1RAB9ANPC1GABRA1
SCHEMBL30703575 0.81 P4HTM (0.60) P4HTMALDH1A1NR1H4RAB9ANPC1
SCHEMBL7911106 0.79 ALDH1A1 (0.55) ALDH1A1NR1H4RAB9ANPC1LMNA
SCHEMBL2917709 0.78 KDM4E (0.43) ALDH1A1RAB9AGABRA1GABRG2GABRB3

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
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 P4HTM 3195/4885ALDH1A1 111/4885NR1H4 2709/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 P4HTM 2574/4885ALDH1A1 248/4885NR1H4 1752/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 P4HTM 1499/4885ALDH1A1 171/4885NR1H4 2700/4885

“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.