SCHEMBL2909047

SCHEMBL2909047

COc1cc2ccc(CCCO)cc2c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.48
TUBB P07437 5/20 0.48
TUBA3C P0DPH7 5/20 0.48
TUBA1B P68363 5/20 0.48
TUBA4A P68366 5/20 0.48
TUBB4B P68371 5/20 0.48
TUBB3 Q13509 5/20 0.48
TUBB2A Q13885 5/20 0.48
TUBB8 Q3ZCM7 5/20 0.48
TUBA3E Q6PEY2 5/20 0.48
TUBA1A Q71U36 5/20 0.48
TUBA1C Q9BQE3 5/20 0.48
TUBB6 Q9BUF5 5/20 0.48
TUBB2B Q9BVA1 5/20 0.48
TUBB1 Q9H4B7 5/20 0.48
TNKS2 Q9H2K2 1/20 0.45
MAOA P21397 2/20 0.44
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL2902994 0.91 MAOA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2905355 0.88 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2908419 0.84 MAOA (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28745931 0.82 MAOA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2908764 0.79 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2908544 0.79 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2902237 0.78 MAOA (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27518817 0.78 MAOA (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13210820 0.78 TNKS2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2908062 0.78 SIGMAR1 (0.50) BLM

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 8 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
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN 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
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-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TUBB4A 2439/4885TUBB 3443/4885TUBA3C 3941/4885
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.