SCHEMBL6461779

SCHEMBL6461779

COCCOCOc1ccc(C(CCOC(C)=O)COC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.41
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35
ACACB O00763 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL6461530 0.77 ESR1 (0.40) SMN1; SMN2ARALDH1A1PRKCAPRKCD
SCHEMBL3332867 0.74 ALDH1A1 (0.49) CTNNB1SMN1; SMN2ALDH1A1ACACBMEN1
SCHEMBL6461539 0.73 CTNNB1 (0.38) CTNNB1TP53SMN1; SMN2PRKCAPRKCD
SCHEMBL7186388 0.70 L3MBTL1 (0.62) CTNNB1SMN1; SMN2ALDH1A1
SCHEMBL6465725 0.70 TDP1 (0.50) CTNNB1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL12855509 0.70 KMT2A (0.45) CTNNB1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6465718 0.69 L3MBTL1 (0.40) CTNNB1SMN1; SMN2TDP1
SCHEMBL8193963 0.68 PRKCA (0.50) SMN1; SMN2PRKCAPRKCDACACBMEN1
SCHEMBL8193959 0.68 PRKCA (0.50) SMN1; SMN2PRKCAPRKCDACACBMEN1
SCHEMBL1503531 0.68 PKM (0.56) CTNNB1TP53SMN1; SMN2ALDH1A1

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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 WO 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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors F7, HABP2, F13B CTNNB1 618/4885TP53 4805/4885SMN1; SMN2 3811/4885

“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.