SCHEMBL6870064

SCHEMBL6870064

CC(C)(C)OC(=O)NCCOc1cc(C#N)ccc1CCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
IDO1 P14902 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDK2 Q15119 1/20 0.37
SCN9A Q15858 1/20 0.37
NQO2 P16083 1/20 0.37
KCNH2 Q12809 1/20 0.37
MGLL Q99685 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL6554076 0.89 CA12 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL6872341 0.84 CA12 (0.41) CA12CA1CA2CA9CCNC
SCHEMBL4684512 0.81 CA12 (0.47) CA12CA1CA2CA9CCNC
SCHEMBL6874766 0.81 CA12 (0.48) CA12CA1CA2CA9TDP1
SCHEMBL6553675 0.80 CA12 (0.48) CA12CA1CA2CA9IDO1
SCHEMBL6553860 0.80 CA12 (0.46) CA12CA1CA2CA9CCNC
SCHEMBL19174933 0.78 CA1 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL31286846 0.78 CA12 (0.40) CA12CA1CA2CA9CCNC
SCHEMBL2470561 0.78 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL13140981 0.77 CA12 (0.64) CA12CA1CA2CA9CNR2

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.