SCHEMBL1127304

SCHEMBL1127304

CCOC(=O)CC(=O)CCOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
FAAH O00519 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL30176985 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13335576 0.88 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27469835 0.85 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL563195 0.83 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL294521 0.82 TSHR (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL107227 0.82
SCHEMBL13726604 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10048124 0.82 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2074701 0.82 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15902482 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
EP-0591355-A4 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY. CYTOPHARM INC (US) 1995-01-18 EP disclosed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed
EP-0591355-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1994-04-13 EP disclosed
US-5262401-A Porphyrins as antitumor agents and psoriasis treatment CYTOPHARM, INC. (US) 1993-11-16 US disclosed
US-5179120-A Antitumor agents or psoriasis CYTOPHARM, INC. (US) 1993-01-12 US disclosed
WO-1993000087-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1993-01-07 WO disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
US-4020178-A 1,4-Dihydropyridine esters used as coronary dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-3974278-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3971796-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GAA 554/4885MGAM 514/4885SI 3706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GAA 554/4885MGAM 514/4885SI 3706/4885

“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.