SCHEMBL6870729

SCHEMBL6870729

CCOC(=O)C=Cc1ccc(C#N)cc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
FDPS P14324 1/20 0.38
MGLL Q99685 2/20 0.38
EPAS1 Q99814 1/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
ESR1 P03372 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL6870726 1.00 CA12 (0.41) CA12CA1CA2CA9CCNC
SCHEMBL6865268 0.97 CA12 (0.40) CA12CA1CA2CA9CCNC
SCHEMBL6865272 0.97 CA12 (0.40) CA12CA1CA2CA9CCNC
SCHEMBL6553860 0.81 CA12 (0.46) CA12CA1CA2CA9CCNC
SCHEMBL6857501 0.79 CA12 (0.38) CA12CA1CA2CA9CCNC
SCHEMBL6555353 0.79 CA12 (0.40) CA12CA1CA2CA9CCNC
SCHEMBL22881992 0.78 CA12 (0.44) CA12CA1CA2CA9MGLL
SCHEMBL6874766 0.78 CA12 (0.48) CA12CA1CA2CA9CCNC
SCHEMBL12257930 0.76 FDPS (0.52) CA12CA1CA2CA9FDPS
SCHEMBL6864800 0.76 GPR119 (0.51) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 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 (2 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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CA12 4425/4885CA1 3403/4885CA2 3566/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CA12 2481/4885CA1 1471/4885CA2 1711/4885

“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.