SCHEMBL2810326

SCHEMBL2810326

CCOC(=O)c1cc(CCCOC)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
APAF1 O14727 1/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTGER4 P35408 3/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
HCRTR1 O43613 1/20 0.42

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
SCHEMBL6176417 0.84 CA12 (0.47) CDC25BCDC25ACDC25CCA12CA1
SCHEMBL2805685 0.84 AMPD3 (0.43) CDC25BPTGER4KMT2AKDM4EMEN1
SCHEMBL13131925 0.82 CDC25B (0.44) CDC25BCDC25ACDC25CCA12CA1
SCHEMBL15935996 0.76 CDC25B (0.60) CDC25BCDC25ACDC25CCA12CA1
SCHEMBL163864 0.76 CA12 (0.53) CDC25BCDC25ACDC25CCA12CA1
SCHEMBL163865 0.76 CA12 (0.57) CDC25BCDC25ACDC25CCA12CA1
SCHEMBL12419947 0.74 HPGD (0.48) CA12CA1CA2CA7CA9
SCHEMBL6616613 0.72 AMPD3 (0.48) CA12CA1CA2CA7CA9
SCHEMBL662273 0.72 CYP4F2 (0.74) CA2PTGER4ALDH1A1MAPTRAB9A
SCHEMBL27782246 0.72 DHODH (0.43) KMT2AKDM4EMEN1ALDH1A1AMPD3

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 CDC25B 2426/4885CDC25A 2365/4885CDC25C 2695/4885

“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.