SCHEMBL5871797

SCHEMBL5871797

[CH2]CCCCCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57
TUBB3 Q13509 3/20 0.57
TUBB2A Q13885 3/20 0.57
TUBB8 Q3ZCM7 3/20 0.57
TUBA3E Q6PEY2 3/20 0.57
TUBA1A Q71U36 3/20 0.57
TUBA1C Q9BQE3 3/20 0.57
TUBB6 Q9BUF5 3/20 0.57
TUBB2B Q9BVA1 3/20 0.57
TUBB1 Q9H4B7 3/20 0.57
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
PTGS2 P35354 1/20 0.52
AOC3 Q16853 2/20 0.50

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
SCHEMBL5871636 0.98 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL900845 0.92 HTR2A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7424861 0.88 HTR2A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL892587 0.84 HTR2A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10774727 0.83 PTGS2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10772012 0.83 PTGS2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10773005 0.83 PTGS2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23534141 0.81 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4740186 0.81 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5514786 0.81 PTGS2 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 TUBB4A 609/4885TUBB 1066/4885TUBA3C 1925/4885

“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.