SCHEMBL6736853

SCHEMBL6736853

COc1ccc(C=CCC2CN(C(=O)OC(C)(C)C)CCN2C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4B Q07343 5/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
NFE2L2 Q16236 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ABCB1 P08183 1/20 0.40
CFTR P13569 1/20 0.39
MMP2 P08253 2/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL6736849 1.00 TDP1 (0.44) TDP1L3MBTL1PDE4BKMT2AKDM4E
SCHEMBL6736916 0.77 PDE4B (0.45) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL6728211 0.77 PARP1 (0.40) ALDH1A1
SCHEMBL6728212 0.77 PARP1 (0.40) ALDH1A1
SCHEMBL4840248 0.73 NR1H2 (0.41) KMT2AALDH1A1
SCHEMBL4845934 0.73 NR1H2 (0.41) KMT2AALDH1A1
SCHEMBL7416274 0.71 PTGS2 (0.46) L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL7416272 0.71 PTGS2 (0.46) L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL4843363 0.70 PARP1 (0.37) KMT2AALDH1A1
SCHEMBL4840050 0.70 PARP1 (0.37) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 TDP1 2175/4885L3MBTL1 274/4885PDE4B 4700/4885

“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.