SCHEMBL2827282

SCHEMBL2827282

CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 8/20 1.00
PDE1B Q01064 8/20 1.00
PDE1C Q14123 8/20 1.00
ESR1 P03372 9/20 0.88
ESR2 Q92731 7/20 0.88
MAPT P10636 3/20 0.88
MEN1 O00255 3/20 0.88
TP53 P04637 3/20 0.88
CYP3A4 P08684 3/20 0.88
KMT2A Q03164 3/20 0.88
PGR P06401 2/20 0.88
ESRRG P62508 2/20 0.88
CYP1A2 P05177 2/20 0.88
CYP2D6 P10635 2/20 0.88
HTR6 P50406 2/20 0.88
NPC1 O15118 1/20 0.88
NR1I2 O75469 1/20 0.88
PRKD3 O94806 1/20 0.88
ABCB11 O95342 1/20 0.88
EGFR P00533 1/20 0.88

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
SCHEMBL1151532 1.00 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL7797461 1.00 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL7797462 1.00 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767718 0.94 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767725 0.94 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767709 0.94 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
Tamoxifen SCHEMBL60433 0.94 ESR1 (0.95) PDE1APDE1BPDE1CESR1ESR2
Tamoxifen SCHEMBL60434 0.94 ESR1 (0.95) PDE1APDE1BPDE1CESR1ESR2
Tamoxifen SCHEMBL17262111 0.94 ESR1 (1.00) PDE1APDE1BPDE1CESR1ESR2
Tamoxifen SCHEMBL17262082 0.94 ESR1 (1.00) PDE1APDE1BPDE1CESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO claimed
US-20100143473-A1 COMBINATION TREATMENT WITH STRONTIUM FOR THE PROPHYLAXIS AND/OR TREATMENT OF CARTILAGE AND/OR BONE CONDITIONS OSTEOLOGIX A/S 2010-06-10 US claimed
US-20090035315-A1 Method of Improving Treatments in Rheumatic and Arthritic Diseases OSTEOLOGIX A/S (DK) 2009-02-05 US claimed
EP-1758653-A2 TREATMENTS COMPRISING STRONTIUM FOR RHEUMATIC AND ARTHRITIC DISEASES AND PAIN Osteologix A/S (DK) 2007-03-07 EP claimed
US-20060275503-A1 Combination treatment with strontium for the prophylaxis and/or treatment of cartilage and/or bone conditions NORDIC BONE A/S (DK) 2006-12-07 US claimed
EP-1622630-A2 STRONTIUM COMBINATIONS FOR THE PROPHYLAXIS/TREATMENT OF CARTILAGE AND/OR BONE CONDITIONS Osteologix A/S (DK) 2006-02-08 EP claimed
WO-2005123193-A2 TREATMENTS COMPRISING STRONTIUM FOR RHEUMATIC AND ARTHRITIC DISEASES AND PAIN OSTEOLOGIX A/S (DK) 2005-12-29 WO claimed
WO-2005123130-A2 IMPROVED TREATMENTS OF RHEUMATIC AND ARTHRITIC DISEASES COMPRISING COMBINATIONS OF A 5-LIPOXYGENASE INHIBITOR OSTEOLOGIX A/S (DK) 2005-12-29 WO claimed
WO-2004098618-A2 STRONTIUM COMBINATIONS FOR PROPHYLAXIS/TREATMENT OF CARTILAGE AND/OR BONE CONDITIONS OSTEOLOGIX A/S (DK) 2004-11-18 WO claimed
EP-1465619-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR Nordic Bioscience A/S (DK) 2004-10-13 EP claimed
WO-2003063859-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR NORDIC BIOSCIENCE A/S (DK) 2003-08-07 WO claimed
EP-1159963-A1 Composition for and method of preventing or treating breast cancer Protein Technologies International, Inc. (US) 2001-12-05 EP claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-20010047033-A1 Composition for and method of preventing or treating breast cancer PROTEIN TECHNOLOGIES INTERNATIONAL, INC. 2001-11-29 US disclosed
US-6300367-B1 Composition for and method of preventing or treating breast cancer PROTEIN TECHNOLOGIES INTERNATIONAL, INC. 2001-10-09 US disclosed
US-6300367-B1 Composition for and method of preventing or treating breast cancer PROTEIN TECHNOLOGIES INTERNATIONAL, INC. 2001-10-09 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 (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-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 PDE1A 2872/4885PDE1B 2498/4885PDE1C 1713/4885

“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.