SCHEMBL7079520

SCHEMBL7079520

OC(O)c1ccc(C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
AOC3 Q16853 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7563025 0.92 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL597442 0.92 IDO1 (0.46) NR3C1IDO1TDO2AOC3HDAC3
SCHEMBL7082143 0.83 NR3C1 (0.43) NR3C1AOC3KMT2AATMBRD4
SCHEMBL21542539 0.82 EPHX1 (0.48) NR3C1KMT2AATMKDM4EALDH1A1
SCHEMBL21542545 0.82 EPHX1 (0.48) NR3C1KMT2AATMKDM4EALDH1A1
SCHEMBL477477 0.82 EPHX1 (0.48) NR3C1KMT2AATMKDM4EALDH1A1
SCHEMBL21831203 0.80 NR3C1 (0.44) NR3C1IDO1TDO2AOC3HDAC3
SCHEMBL5518530 0.80 IGF1R (0.46) NR3C1IDO1TDO2AOC3HDAC3
SCHEMBL1349994 0.80 TSHR (0.42) NR3C1ATMLMNASMN1; SMN2
SCHEMBL21831189 0.80 ACHE (0.62) NR3C1AOC3KMT2AATMBRD4

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-20030114692-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2003-06-19 US disclosed
US-20030083508-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
EP-1259500-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. Lundbeck A/S (DK) 2002-11-27 EP disclosed
US-20020004604-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-01-10 US disclosed
WO-2001062754-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2001-08-30 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-20030083508-A1 Method for the preparation of citalopram MAOB, MAOA, TPH1 NR3C1 1036/4885IDO1 144/4885TDO2 886/4885
US-20020004604-A1 Method for the preparation of citalopram MAOB, MAOA, TPH1 NR3C1 1036/4885IDO1 144/4885TDO2 886/4885
US-20030114692-A1 Method for the preparation of citalopram MAOB, MAOA, TPH1 NR3C1 1036/4885IDO1 144/4885TDO2 886/4885

“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.