SCHEMBL4138249

SCHEMBL4138249

O=C(c1ccc(F)cc1)c1ccc(C2OCCO2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
S1PR1 P21453 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL21222589 0.78 CES2 (0.58) NPC1TSHRMAPK1POLBALDH1A1
SCHEMBL11097613 0.75 TDP1 (0.41) POLBALDH1A1MAPTHPGDNPSR1
SCHEMBL510447 0.72 LMNA (0.33) NPC1TSHRPOLBALDH1A1LMNA
SCHEMBL3624444 0.72 NPC1 (0.58) NPC1TSHRMAPK1ALDH1A1MAPT
SCHEMBL752897 0.70 MAOA (0.51) NPC1TSHRMAPK1POLBALDH1A1
SCHEMBL31456124 0.69 TDP1 (0.39) POLBALDH1A1LMNAKDM4EHPGD
SCHEMBL4128859 0.68 KDM4E (0.35) KDM4E
SCHEMBL20590031 0.68
SCHEMBL2958453 0.67 LMNA (0.64) NPC1TSHRMAPK1POLBALDH1A1
SCHEMBL21230335 0.66 LMNA (0.42) NPC1TSHRMAPK1POLBALDH1A1

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 NPC1 1193/4885TSHR 3730/4885MAPK1 3767/4885

“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.