SCHEMBL3500952

SCHEMBL3500952

COC(=O)[C@H](Cc1ccc(OCc2cccc(OC)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.55
YAP1 P46937 1/20 0.54
KLK5 Q9Y337 1/20 0.53
BCL2 P10415 1/20 0.52
MAOB P27338 3/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
PTPN1 P18031 3/20 0.51
PPARG P37231 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
REN P00797 1/20 0.47

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
SCHEMBL3498818 0.90 YAP1 (0.54) YAP1KLK5BCL2MAOBMEN1
SCHEMBL31539528 0.89 KLK5 (0.58) CACNA1BKLK5MEN1ALDH1A1LMNA
SCHEMBL4729306 0.89 KLK5 (0.58) CACNA1BKLK5MEN1ALDH1A1LMNA
SCHEMBL30547272 0.89 KLK5 (0.58) CACNA1BKLK5MEN1ALDH1A1LMNA
SCHEMBL3498682 0.89 CTSS (0.56) YAP1KLK5BCL2MAOBMEN1
SCHEMBL3498679 0.89 CTSS (0.56) YAP1KLK5BCL2MAOBMEN1
SCHEMBL3350988 0.88 BCL2 (0.64) YAP1KLK5BCL2MEN1ALDH1A1
SCHEMBL3500186 0.88 BCL2 (0.64) YAP1KLK5BCL2MEN1ALDH1A1
SCHEMBL6161729 0.88 BCL2 (0.64) YAP1KLK5BCL2MEN1ALDH1A1
SCHEMBL2353801 0.86 KLK5 (0.59) CACNA1BYAP1KLK5BCL2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CACNA1B 1462/4885YAP1 1692/4885KLK5 4167/4885

“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.