SCHEMBL5066705

SCHEMBL5066705

CC(C)(C)Cn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
PLK1 P53350 4/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
CREBBP Q92793 1/20 0.52
MEN1 O00255 1/20 0.50
NR4A2 P43354 1/20 0.50

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
SCHEMBL15882924 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL19675355 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL31429390 0.84 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL30373303 0.83 NR4A2 (0.69) ALDH1A1KDM4EL3MBTL1PLK1MAPT
SCHEMBL2429622 0.83 NR4A2 (0.69) ALDH1A1KDM4EL3MBTL1PLK1MAPT
SCHEMBL6002325 0.82 CNR2 (0.42) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL2035148 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL5135068 0.82 MEN1 (0.49) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL2035739 0.81 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1MAPK1PLK1
SCHEMBL5065671 0.81 CNR2 (0.68) ALDH1A1PLK1MAPTCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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 (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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 ALDH1A1 2457/4885KDM4E 2352/4885L3MBTL1 1728/4885

“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.