SCHEMBL1715402

SCHEMBL1715402

NOCC1CCC(CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.34
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL1715400 1.00 ESR1 (0.39) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL388854 0.86
SCHEMBL15295125 0.86 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL1714368 0.85 EPHX2 (0.35) ESR1ESR2CYP3A4CYP2C9
Alcohol SCHEMBL10587837 0.84
Hydrochloric Acid SCHEMBL218217 0.83
Alcohol SCHEMBL9404531 0.82 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL20404750 0.78 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL8613374 0.78 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL8873260 0.77 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1

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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
JP-2007513098-A 2007-05-24 JP claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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 (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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ESR1 1111/4885ESR2 1849/4885CYP3A4 3344/4885

“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.