SCHEMBL13131925

SCHEMBL13131925

CCOC(=O)c1cc(OCCCOC)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
NPC1 O15118 2/20 0.43
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
HSD17B2 P37059 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL13131932 0.84 TSHR (0.42) NPC1CA12CA1CA2CA7
SCHEMBL13132193 0.84 MRGPRX4 (0.45) CASP6KMT2AKDM4EALDH1A1REN
SCHEMBL6041628 0.83 CDC25B (0.49) CDC25BNPC1PTGER4HSD17B2KMT2A
SCHEMBL2810326 0.82 CDC25B (0.44) CDC25BCDC25ACDC25CNPC1CA12
SCHEMBL13131927 0.81 PTPN11 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2809626 0.81 MRGPRX4 (0.51) CDC25BNPC1CA12CA1CA2
SCHEMBL3328123 0.79 HTT (0.48) CDC25BCDC25ACDC25CNPC1CA12
SCHEMBL13131924 0.78 PTGER4 (0.41) CA12CA1CA2CA7CA9
SCHEMBL13131916 0.78 PTGER4 (0.41) NPC1CA12CA1CA2CA7
SCHEMBL2808587 0.78 P2RY12 (0.53) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN 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.