SCHEMBL4774294

SCHEMBL4774294

COc1cc(CCCOS(C)(=O)=O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48

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
SCHEMBL5937186 0.90 CA12 (0.54) CA12CA1CA2CA9CA14
Alcohol SCHEMBL11039974 0.84 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL2453696 0.83 CA2 (0.52) CA12CA1CA2CA9CA14
SCHEMBL228874 0.80 ALDH1A1 (0.47) CA1CA2CA9PTGS2CYP19A1
SCHEMBL2908544 0.80 TUBB4A (0.39) CA12CA1CA2CA9CA14
SCHEMBL2902380 0.80 TUBB4A (0.42) CA12CA1CA2CA9CA14
SCHEMBL5937152 0.80 PTGS2 (0.52) CA12CA1CA2CA9CA14
SCHEMBL5679688 0.79 TUBB4A (0.37) CA12CA1CA2CA9CA14
SCHEMBL7424861 0.78 HTR2A (0.69) CA12CA1CA2CA9CA14
SCHEMBL4860328 0.78 CA2 (0.51) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 CA12 553/4885CA1 117/4885CA2 147/4885

“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.