SCHEMBL3898402

SCHEMBL3898402

CC(C)=CCc1cc(O)c(O)c2c(=O)c(O)c(-c3ccccc3)oc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.57
CYP19A1 P11511 3/20 0.56
CYP3A4 P08684 2/20 0.55
PTPN1 P18031 4/20 0.54
PDE5A O76074 2/20 0.53
MGAM O43451 1/20 0.53
KDM1A O60341 1/20 0.53
PKMYT1 Q99640 1/20 0.53
MAOA P21397 3/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
P4HB P07237 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL28950292 0.89 CYP19A1 (0.55) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL27625009 0.85 MAOA (0.51) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL1170732 0.81 PDE5A (0.78) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL15361080 0.81 CYP3A4 (0.65) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL31571483 0.80 CYP3A4 (0.59) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL7651618 0.80 CYP3A4 (0.59) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL15899627 0.79 ABCG2 (0.54) ABCB1CYP19A1CYP3A4PDE5AKDM1A
SCHEMBL30999872 0.78 CYP19A1 (0.63) ABCB1CYP19A1PTPN1PDE5AMGAM
SCHEMBL5072293 0.77 MGAM (0.74) ABCB1CYP19A1CYP3A4PTPN1PDE5A
SCHEMBL8541548 0.74 MAPT (0.64) ABCB1CYP19A1CYP3A4MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572781-B2 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA (US) 2009-08-11 US disclosed
US-7534779-B2 a steroidal quinol that is converted to a biologically active estrogen compound via enzyme catalyzed reduction; 2-(1-adamantyl)-estra-1,3,5(10)-triene-3,17 beta -diol; estrogen receptors activator; low lipid solubility; cataract, glaucoma, conjunctivitis, diabetic retinopathy UNIVERSITY OF FLORIDA (US) 2009-05-19 US disclosed
US-20080119446-A1 Prodrugs for Use as Ophthalmic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-22 US disclosed
US-20070213310-A1 Prodrugs for Use as Ophthalmic Agents PROKAI LASZLO 2007-09-13 US disclosed
US-20070155711-A1 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2007-07-05 US disclosed
US-7186707-B2 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA (US) 2007-03-06 US disclosed
EP-1569648-A4 PRODRUGS FOR USE A OPHTHALMIC AGENTS UNIV FLORIDA (US) 2006-10-04 EP disclosed
EP-1003522-B1 USE OF ESTROGEN FOR PREVENTING OR CONTROLLING CATARACT UNIV SYDNEY (AU) 2005-11-16 EP disclosed
EP-1569648-A1 PRODRUGS FOR USE A OPHTHALMIC AGENTS University of Florida (US) 2005-09-07 EP disclosed
US-20040171596-A1 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2004-09-02 US disclosed
WO-2004069248-A1 PRODRUGS FOR USE A OPHTHALMIC AGENTS UNIVERSITY OF FLORIDA (US) 2004-08-19 WO disclosed
EP-1003522-A4 A METHOD FOR PREVENTING OR CONTROLLING CATARACT UNIV SYDNEY (AU) 2002-05-02 EP disclosed
US-6258856-B1 ADMINISTERING ESTROGEN FOR CATARACT PREVENTION THE UNIVERSITY OF SYDNEY (AU) 2001-07-10 US disclosed
EP-1003522-A1 A METHOD FOR PREVENTING OR CONTROLLING CATARACT THE UNIVERSITY OF SYDNEY (AU) 2000-05-31 EP disclosed
WO-1998026784-A1 A METHOD FOR PREVENTING OR CONTROLLING CATARACT THE UNIVERSITY OF SYDNEY (AU) 1998-06-25 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 (4 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-20040171596-A1 Prodrugs for use as ophthalmic agents CYP21A2, CYP19A1, CYP17A1 ABCB1 110/4885CYP19A1 2/4885CYP3A4 137/4885
US-20070155711-A1 Prodrugs for use as ophthalmic agents CYP19A1, CYP21A2, CYP17A1 ABCB1 60/4885CYP19A1 1/4885CYP3A4 109/4885
US-20080119446-A1 Prodrugs for Use as Ophthalmic Agents CYP21A2, CYP19A1, CYP17A1 ABCB1 119/4885CYP19A1 2/4885CYP3A4 135/4885
US-20070213310-A1 Prodrugs for Use as Ophthalmic Agents CYP21A2, CYP19A1, CYP17A1 ABCB1 110/4885CYP19A1 2/4885CYP3A4 137/4885

“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.