SCHEMBL5240307

SCHEMBL5240307

COc1c(OC(C)C)cc(I)cc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
CA9 Q16790 1/20 0.37
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL4114610 0.83 GAA (0.42) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL210358 0.79 ACHE (0.59) ACHEMAPTCYP3A4CA9TUBB4A
SCHEMBL1458395 0.78 GAA (0.36) ACHEMAPTCYP3A4HTR2AHTR2C
SCHEMBL4152456 0.75 PDE4B (0.42) ACHEMAPTCA9TUBB4ATUBB
SCHEMBL1458295 0.75 MAPT (0.39) MAPTCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL7842504 0.75 ALDH1A1 (0.47) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5623277 0.74 MAPT (0.38) ACHEMAPTCYP3A4CA9TUBB4A
SCHEMBL17912820 0.73 NPSR1 (0.46) ACHECA9TUBB4ATUBBTUBA3C
SCHEMBL1458091 0.72 TPMT (0.56) MAPTCA9TUBB4ATUBBTUBA3C
SCHEMBL178390 0.71 ACHE (0.50) ACHEMAPTCYP3A4CA9TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 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
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP 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 ACHE 3211/4885MAPT 4297/4885CYP3A4 350/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ACHE 4207/4885MAPT 3926/4885CYP3A4 270/4885

“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.