SCHEMBL4671676

SCHEMBL4671676

COc1cc(B(O)O)cc(OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.39
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36

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
SCHEMBL3912855 0.89 CYP3A4 (0.39) ENPP2CA2CA1RXFP1MEN1
SCHEMBL28825759 0.86 ENPP2 (0.41) ENPP2CA2CA1RXFP1MEN1
SCHEMBL13108507 0.81 ENPP2 (0.33) ENPP2CA2CA1RXFP1MEN1
SCHEMBL24433 0.81 CYP3A4 (0.56) ENPP2CA2CA1MEN1KMT2A
SCHEMBL3327791 0.81 CA1 (0.48) ENPP2CA2CA1KMT2ACYP3A4
SCHEMBL4109993 0.79 ENPP2 (0.41) ENPP2CA2CA1MEN1KMT2A
SCHEMBL5628199 0.79 ENPP2 (0.41) ENPP2CA2CA1CYP3A4TUBB4A
SCHEMBL10132747 0.79 ACHE (0.45) ENPP2CA2CA1CYP3A4TUBB4A
SCHEMBL10165239 0.77 ENPP2 (0.36) ENPP2CA2CA1LPLLIPG
SCHEMBL16071684 0.76 CYP3A4 (0.42) ENPP2CA2CA1RXFP1MEN1

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
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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 (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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH ENPP2 1436/4885CA2 422/4885CA1 2904/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ENPP2 2995/4885CA2 2662/4885CA1 4598/4885

“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.