SCHEMBL2516489

SCHEMBL2516489

CC(C)Oc1ccc(C(O)c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
PARP10 Q53GL7 1/20 0.50
ALDH1A3 P47895 1/20 0.48
ELANE P08246 1/20 0.47
POLB P06746 1/20 0.47
GLA P06280 1/20 0.46
ACACB O00763 4/20 0.45
ACACA Q13085 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CNR2 P34972 1/20 0.44
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SRD5A2 P31213 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
PTPN5 P54829 1/20 0.40

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
SCHEMBL10269513 0.86 KMT2A (0.52) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL5635084 0.86 KMT2A (0.52) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL6055387 0.82 KMT2A (0.48) KMT2APARP10ALDH1A3POLBGLA
Hydrogen Peroxide SCHEMBL28902806 0.82 KMT2A (0.70) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL125543 0.82 ALDH1A3 (0.64) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL13651984 0.80 KMT2A (0.47) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL12203936 0.80 ALDH1A3 (0.52) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL143873 0.80 ALDH1A3 (0.52) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL10047696 0.80 LMNA (0.37) KMT2APARP10ALDH1A3ELANEPOLB
SCHEMBL6055162 0.79 LMNA (0.52) KMT2APARP10ALDH1A3POLBGLA

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
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 KMT2A 1998/4885PARP10 669/4885ALDH1A3 4130/4885

“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.