SCHEMBL7102332

SCHEMBL7102332

CC(C)OC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA1D P25100 1/20 0.38
BRD4 O60885 1/20 0.37
GLA P06280 1/20 0.37
GLS O94925 1/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
IDH1 O75874 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FOLH1 Q04609 1/20 0.35
GRIA2 P42262 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
SCHEMBL7101788 0.96 LMNA (0.41) KLKB1KLK1LMNAHTTCYP19A1
SCHEMBL7101493 0.88 CACNA1F (0.41) KLKB1KLK1LMNAHTTCYP19A1
SCHEMBL6163869 0.87 POLB (0.45) KLKB1KLK1LMNACYP19A1CYP11B1
SCHEMBL7105122 0.85 KLKB1 (0.39) KLKB1KLK1LMNAHTTCYP19A1
SCHEMBL7106232 0.85 CYP11B1 (0.43) KLKB1KLK1LMNAHTTCYP19A1
SCHEMBL7101526 0.84 CYP19A1 (0.43) KLKB1KLK1HTTCYP19A1CYP11B1
SCHEMBL6164552 0.83 BRD4 (0.50) KLKB1KLK1LMNAHTTCYP19A1
SCHEMBL6165929 0.83 ADRA1D (0.52) KLKB1KLK1CYP19A1CYP11B1CYP11B2
SCHEMBL7105089 0.83 KLKB1 (0.46) KLKB1KLK1CYP19A1CYP11B1CYP11B2
SCHEMBL6170882 0.83 MAPT (0.45) KLKB1KLK1LMNAADRA1DIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI KLKB1 530/4885KLK1 692/4885LMNA 772/4885

“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.