SCHEMBL410249

SCHEMBL410249

CCOc1cc(C(=O)OC)ccc1-c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.43
PDK2 Q15119 1/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL410946 0.86 L3MBTL1 (0.48) CREBBPPOLBTSHRPDK2MAPT
SCHEMBL410382 0.86 TSHR (0.56) CREBBPPOLBTSHRMAPTTP53
SCHEMBL410169 0.83 CA12 (0.56) POLBTSHRPDK2MAPTTP53
SCHEMBL536170 0.82 TRPA1 (0.48) CREBBPPOLBPDK2MAPTTP53
SCHEMBL410064 0.81 PDK2 (0.45) TSHRPDK2MAPTMAPK1SMN1; SMN2
SCHEMBL8408486 0.79 CA12 (0.54) POLBTSHRPDK2MAPTTP53
SCHEMBL1808476 0.78 TSHR (0.63) CREBBPPOLBTSHRMAPTMAPK1
SCHEMBL536675 0.77 NOTUM (0.51) TSHRPDK2MAPK1LMNAKDM4E
SCHEMBL8406676 0.77 MAPT (0.59) POLBMAPTSMN1; SMN2LMNATDP1
SCHEMBL16056073 0.76 EGFR (0.51) CREBBPTSHRMAPTMAPK1KDM4E

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
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO 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 (1 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB CREBBP 3111/4885POLB 1608/4885TSHR 2360/4885

“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.