SCHEMBL5075574

SCHEMBL5075574

O=[C]c1ccccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CEL P19835 2/20 0.37
HSP90AA1 P07900 1/20 0.37
EPHX1 P07099 1/20 0.36
PTPN5 P54829 2/20 0.36
PTPN2 P17706 1/20 0.36
NAAA Q02083 1/20 0.36
KMO O15229 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
TDO2 P48775 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL2045879 0.90 RBP4 (0.37) PTGDR2MEN1KMT2A
SCHEMBL4871817 0.81 HTR2C (0.55)
SCHEMBL251063 0.80 ADRA1A (0.45) PTGDR2PTGS2KMT2A
SCHEMBL22288194 0.80 PTGDR2 (0.42) PTGDR2PTGS2MEN1KMT2AHSP90AA1
Hydrogen Peroxide SCHEMBL3679819 0.78 PTGDR2 (0.55) PTGDR2PTGS2MEN1KMT2ACEL
Hydrogen Peroxide SCHEMBL11398422 0.78 PTGDR2 (0.55) PTGDR2PTGS2MEN1KMT2ACEL
SCHEMBL42781 0.78 PTGDR2 (0.48) PTGDR2PTGS2CELPTPRCPTPRF
SCHEMBL2019967 0.78 ADRA1A (0.46) PTGDR2KMT2A
SCHEMBL28910683 0.78 PTGDR2 (0.40) PTGDR2PTGS2MEN1KMT2ABCHE
SCHEMBL1813761 0.77 PTGDR2 (0.44) PTGDR2PTGS2MEN1KMT2APTPN5

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
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US claimed
EP-0417721-A2 Novel peptidase and isomerase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-20 EP claimed
EP-1948211-A2 MODULATORS OF NOD1 SIGNALING THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-07-30 EP disclosed
WO-2007044989-A2 MODULATORS OF NOD1 SIGNALING THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-04-19 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
JP-2000191605-A DIAMINO COMPOUND AND ITS PRODUCTION CHISSO CORP 2000-07-11 JP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PTGDR2 3866/4885PTGS2 3736/4885MEN1 300/4885

“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.