SCHEMBL900845

SCHEMBL900845

[CH2]CCCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
TUBB4A P04350 3/20 0.56
TUBB P07437 3/20 0.56
TUBA3C P0DPH7 3/20 0.56
TUBA1B P68363 3/20 0.56
TUBA4A P68366 3/20 0.56
TUBB4B P68371 3/20 0.56
TUBB3 Q13509 3/20 0.56
TUBB2A Q13885 3/20 0.56
TUBB8 Q3ZCM7 3/20 0.56
TUBA3E Q6PEY2 3/20 0.56
TUBA1A Q71U36 3/20 0.56
TUBA1C Q9BQE3 3/20 0.56
TUBB6 Q9BUF5 3/20 0.56
TUBB2B Q9BVA1 3/20 0.56
TUBB1 Q9H4B7 3/20 0.56
PTGS2 P35354 1/20 0.55
AOC3 Q16853 2/20 0.53

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 0.94 TUBB4A (0.58) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL5871797 0.92 TUBB4A (0.57) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL892587 0.88 HTR2A (0.64) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL7424861 0.87 HTR2A (0.69) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL4464142 0.83 HTR2A (0.75) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL5568951 0.82 PTGS2 (0.63) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL2007007 0.80 TNKS2 (0.68) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL16295765 0.80 HTR2A (0.78) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL9799524 0.80 HTR2A (0.60) HTR2AHTR2CHTR2BTUBB4ATUBB
SCHEMBL6780613 0.80 HTR2A (0.60) HTR2AHTR2CHTR2BTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964851-A1 C-TERMINAL KETONE HYDROXAMIC ACID INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFA SECRETION Abbott Laboratories (US) 1999-12-22 EP claimed
WO-1998030541-A1 C-TERMINAL KETONE HYDROXAMIC ACID INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFA SECRETION ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
JP-9124487-A None JP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
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
WO-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO 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
JP-H09124487-A RENAL DISEASE PREVENTING AND TREATING AGENT KOWA CO 1997-05-13 JP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 HTR2A 1845/4885HTR2C 1669/4885HTR2B 1724/4885

“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.