SCHEMBL14033876

SCHEMBL14033876

CC(=O)CC(CCCCCCCC(=O)O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 4/20 0.65
▸ CYP2C9 P11712 4/20 0.65
▸ ALB P02768 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ PCSK7 Q16549 1/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ NQO1 P15559 1/20 0.60
▸ NR1I2 O75469 1/20 0.55
▸ NR3C1 P04150 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL14034056 0.88 NQO1 (0.67) VKORC1CYP2C9ALBHSD17B10KDM4E
SCHEMBL14033502 0.87 VKORC1 (0.63) VKORC1CYP2C9ALBHSD17B10KDM4E
SCHEMBL14033878 0.81 VKORC1 (0.71) VKORC1CYP2C9ALBHSD17B10KDM4E
SCHEMBL1649113 0.80 NQO1 (0.76) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL29400364 0.79 CYP2C9 (1.00) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL3792087 0.79 CYP2C9 (1.00) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL2139452 0.79 CYP2C9 (1.00) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL4439794 0.79 CYP2C9 (1.00) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL662875 0.79 CYP2C9 (1.00) VKORC1CYP2C9ALBHSD17B10KDM4E
Warfarin SCHEMBL36362 0.78 CYP2C9 (0.97) VKORC1CYP2C9ALBHSD17B10KDM4E

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-7439077-B2 Coumarin analog compounds for safer anticoagulant treatment NEW CENTURY PHARMACEUTICALS, INC. (US) 2008-10-21 — — US disclosed
US-20070155828-A1 Coumarin analog compounds for safer anticoagulant treatment CARTER DANIEL C 2007-07-05 — — US disclosed
US-7179838-B2 Coumarin analog compounds for safer anticoagulant treatment NEW CENTURY PHARMACEUTICALS, INC. (US) 2007-02-20 — — US 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-20070155828-A1 Coumarin analog compounds for safer anticoagulant treatment SERPINC1, PROC, ALB VKORC1 11/4885CYP2C9 37/4885ALB 3/4885

“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.

Send feedback