SCHEMBL4139849

SCHEMBL4139849

CC(=O)OCc1ccc(CNCC(=O)OC(C)(C)C)o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
VSIR Q9H7M9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PTPRC P08575 2/20 0.33
EPHX2 P34913 1/20 0.32
ABCB1 P08183 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL4137495 0.81 ALDH1A1 (0.41) ALDH1A1HPGDLMNAEPHX2KDM4E
SCHEMBL2541634 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL19220827 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL4139850 0.72 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ATSHR
SCHEMBL27604915 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL10261585 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL257112 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL5856909 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL8421187 0.70 VSIR (0.44) VSIRHPGDLMNA
SCHEMBL15876277 0.70 MTNR1A (0.42) VSIRSMN1; SMN2HPGDLMNAPTPRC

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ALDH1A1 2731/4885VSIR 4232/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ALDH1A1 2713/4885VSIR 4198/4885SMN1; SMN2 3772/4885

“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.