SCHEMBL2902380

SCHEMBL2902380

COc1cc2cc(CCCOS(C)(=O)=O)ccc2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
PTGS2 P35354 1/20 0.37
MAOA P21397 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P4HB P07237 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL7127072 0.94 TUBB1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2903088 0.92 TUBB1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2908544 0.90 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2903647 0.82 MAOA (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4774294 0.80 CA12 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2905355 0.79 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2453696 0.78 CA2 (0.52) SMN1; SMN2HSP90AA1KDM4EALDH1A1CA1
SCHEMBL2908764 0.76 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27545716 0.76 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2910499 0.74 SIGMAR1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US 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-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (3 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TUBB4A 2439/4885TUBB 3443/4885TUBA3C 3941/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 TUBB4A 1405/4885TUBB 1773/4885TUBA3C 1158/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TUBB4A 2439/4885TUBB 3443/4885TUBA3C 3941/4885

“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.