SCHEMBL4128859

SCHEMBL4128859

OC(c1ccc(F)cc1)c1ccc(C2OCCO2)o1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL4709292 0.76 AOC3 (0.38) KDM4EIDO1KMT2AMEN1
SCHEMBL20590031 0.69
SCHEMBL4138249 0.68 NPC1 (0.42) KDM4E
SCHEMBL24516608 0.67 TEAD4 (0.36) KDM4EIDO1HDAC3HDAC4HDAC1
SCHEMBL510447 0.67 LMNA (0.33) KDM4EIDO1KMT2AMEN1
SCHEMBL597442 0.66 IDO1 (0.46) KDM4EIDO1TDO2HDAC3HDAC4
SCHEMBL3229698 0.66 NR4A1 (0.41) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL22140465 0.65
SCHEMBL21383098 0.63
SCHEMBL1964902 0.63 MEN1 (0.50) IDO1TDO2KMT2AATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247772-A1 Method for the Preparation of Escitalopram H. LUNDBECK A/S (DK) 2009-10-01 US claimed
US-20090247772-A1 Method for the Preparation of Escitalopram H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
US-20090247772-A1 Method for the Preparation of Escitalopram H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
US-20090247772-A1 Method for the Preparation of Escitalopram H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
WO-2007054105-A2 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2007-05-18 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-20090247772-A1 Method for the Preparation of Escitalopram SLC6A4, SLC6A2, SLC6A3 KDM4E 1368/4885IDO1 689/4885TDO2 476/4885

“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.