SCHEMBL5183115

SCHEMBL5183115

CC1(C)CC(=O)OC1(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 3/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
BACE1 P56817 2/20 0.36
HSD11B1 P28845 1/20 0.36
LDHA P00338 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL6401065 0.83 CHRNA1 (0.39) ALDH1A1HSD11B1DRD2CHRNB2SLC6A2
SCHEMBL6400054 0.80 CHRNA1 (0.40) ALDH1A1HSD11B1CHRNB2CHRNB4CHRNA3
SCHEMBL7983386 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2HCAR3HCAR2CYP2C9
SCHEMBL4258794 0.70 CFTR (0.45) ALDH1A1HCAR3HCAR2CYP2C9CYP2C19
SCHEMBL5857767 0.67 MMP2 (0.41) ALDH1A1CYP1A2HCAR3HCAR2CYP2C9
SCHEMBL8149296 0.66 CYP1A2 (0.39) ALDH1A1CYP1A2HCAR3HCAR2HSD11B1
SCHEMBL10641405 0.66 CYP1A2 (0.39) ALDH1A1CYP1A2HCAR3HCAR2MMP2
SCHEMBL10641415 0.66 CYP1A2 (0.39) ALDH1A1CYP1A2HCAR3HCAR2MMP2
SCHEMBL10641412 0.66 CYP1A2 (0.39) ALDH1A1CYP1A2HCAR3HCAR2MMP2
SCHEMBL3291202 0.66 SIRT1 (0.46) ALDH1A1CYP1A2HCAR3HCAR2CYP2C9

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
EP-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
EP-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
EP-1583967-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES Bayer HealthCare AG (DE) 2005-10-12 EP disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
WO-2004060860-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES BAYER HEALTHCARE AG (DE) 2004-07-22 WO disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK ALDH1A1 3281/4885CYP1A2 1273/4885HCAR3 1959/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 ALDH1A1 4193/4885CYP1A2 4625/4885HCAR3 2422/4885

“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.