SCHEMBL407938

SCHEMBL407938

CC/C(=C(/c1ccc(I)cc1)c1ccc(OCCn2cccc2)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 16/20 0.72
PDE1B Q01064 16/20 0.72
PDE1C Q14123 16/20 0.72
ESR1 P03372 2/20 0.72
ESR2 Q92731 1/20 0.72
PSMB1 P20618 3/20 0.62
PSMB5 P28074 2/20 0.62
PSMB2 P49721 1/20 0.62
CYP3A4 P08684 1/20 0.60

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
SCHEMBL285264 1.00 PDE1A (0.72) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL285263 1.00 PDE1A (0.72) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL7111397 0.87 PDE1A (0.73) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL7148860 0.87 PDE1A (0.73) PDE1APDE1BPDE1CESR1ESR2
Idoxifene SCHEMBL19217 0.84 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
Idoxifene SCHEMBL3774574 0.84 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
Idoxifene SCHEMBL19216 0.84 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL10349389 0.83 PDE1A (0.73) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL18291033 0.83 CYP19A1 (0.87) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767710 0.83 PDE1A (0.76) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030259-A1 Antiestrogens and/or Aromatase Inhibitors for Use in Treating Obesity and Related Symptoms REPROS THERAPEUTICS INC (US) 2020-01-30 US disclosed
US-20150031656-A1 COMBINATION THERAPY FOR TREATING ANDROGEN DEFICIENCY REPROS THERAPEUTICS INC (US) 2015-01-29 US disclosed
EP-2826475-A1 Trans-clomiphene for treating diabetes in hypogonadal men Repros Therapeutics Inc. (US) 2015-01-21 EP disclosed
US-20130165524-A1 TRANS-CLOMIPHENE FOR METABOLIC SYNDROME REPROS THERAPEUTICS INC. (US) 2013-06-27 US disclosed
US-8377991-B2 Trans-clomiphene for metabolic syndrome REPROS THERAPEUTICS INC. (US) 2013-02-19 US disclosed
US-8372887-B2 Trans-clomiphene for metabolic syndrome REPROS THERAPEUTICS INC. (US) 2013-02-12 US disclosed
US-20120022167-A1 Trans-Clomiphene for Metabolic Syndrome REPROS THERAPEUTICS INC. (US) 2012-01-26 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-20090099265-A1 TRANS-CLOMIPHENE FOR METABOLIC SYNDROME REPROS THERAPEUTICS INC. (US) 2009-04-16 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 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 (3 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PDE1A 2007/4885PDE1B 2137/4885PDE1C 1685/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 PDE1A 1524/4885PDE1B 1968/4885PDE1C 2829/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 PDE1A 3315/4885PDE1B 3350/4885PDE1C 3287/4885

“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.