SCHEMBL5585181

SCHEMBL5585181

O=C1/C(=C\c2ccc(O)cc2)CCC/C1=C\c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 1.00
HSD11B1 P28845 2/20 1.00
F3 P13726 2/20 1.00
MGAM O43451 3/20 0.86
GAA P10253 3/20 0.86
SI P14410 3/20 0.86
MGAM2 Q2M2H8 3/20 0.86
CYP1A2 P05177 6/20 0.85
CYP3A4 P08684 1/20 0.85
EGFR P00533 1/20 0.69
MIF P14174 1/20 0.69
MAPT P10636 2/20 0.66
HTT P42858 2/20 0.66
HPGD P15428 1/20 0.66
F2 P00734 3/20 0.62
F10 P00742 3/20 0.62
NPC1 O15118 1/20 0.61
HSP90AA1 P07900 1/20 0.61
XBP1 P17861 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL14473217 1.00 CYP2C9 (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL5585182 1.00 CYP2C9 (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL5585354 0.92 CYP1A2 (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL14473242 0.92 CYP1A2 (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL5585355 0.92 CYP1A2 (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL1524260 0.86 CYP2C9 (0.76) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL9302118 0.86 CYP2C9 (0.76) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL1524262 0.86 CYP2C9 (0.76) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL17077347 0.83 EGFR (1.00) CYP2C9HSD11B1F3MGAMGAA
SCHEMBL17077345 0.83 EGFR (1.00) CYP2C9HSD11B1F3MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554505-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 EP claimed
WO-2018107226-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2018-06-21 WO claimed
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 US disclosed
EP-3554505-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 EP disclosed
WO-2018107226-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2018-06-21 WO disclosed
EP-1247797-B1 Cycloalkanone Derivates MERCK PATENT GMBH (DE) 2007-07-04 EP disclosed
US-6939479-B2 Cycloalkanone derivatives MERCK PATENT GMBH (DE) 2005-09-06 US disclosed
US-20030080321-A1 Cycloalkanone derivatives MERCK KGAA (DE) 2003-05-01 US disclosed
EP-1247797-A2 Cycloalkanone Derivates MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
US-6043334-A USEFUL FOR PRODUCTION OF CROSSLINKED POLYCARBONATE RESINS; ELECTROPHOTOGRAPHIC PHOTORECEPTORS, WHICH HAVE PHOTOSENSITIVE LAYER CONTAINING CROSSLINKED POLYCARBONATE RESINS IDEMITSU KOSAN CO., LTD. (JP) 2000-03-28 US disclosed
EP-0866083-A1 POLYCARBONATE RESIN, CROSSLINKED POLYCARBONATE RESIN AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-23 EP 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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 CYP2C9 4847/4885HSD11B1 1739/4885F3 2068/4885

“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.