SCHEMBL3029410

SCHEMBL3029410

CCCCOC(=O)c1ccc2c(c1)COC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.56
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR1 P03372 6/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
PDE4D Q08499 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL3039890 0.87 PRF1 (0.70) PRF1ALDH1A1ESR1LMNAMAPK1
SCHEMBL19770242 0.86 PRF1 (0.47) PRF1ALDH1A1MEN1KMT2ALMNA
SCHEMBL11246590 0.85 MAPT (0.53) PRF1ALDH1A1MEN1KMT2AESR1
SCHEMBL11242897 0.85 MAPT (0.53) PRF1ALDH1A1MEN1KMT2AESR1
SCHEMBL20107457 0.81 PRF1 (0.50) PRF1ALDH1A1LMNAMAPTKDM4E
SCHEMBL3029409 0.79 MAPT (0.55) PRF1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2653935 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL38659727 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL8466946 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL31634617 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687645-B2 Intermediates for the preparation of citalopram and escitalopram H. LUNDBECK A/S (DK) 2010-03-30 US disclosed
US-20080058536-A1 Intermediates for the preparation of citalopram and escitalopram H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
EP-1611118-A2 INTERMEDIATES FOR THE PREPARATION OF CITALOPRAM AND ESCITALOPRAM H. LUNDBECK A/S (DK) 2006-01-04 EP disclosed
WO-2004083197-A2 INTERMEDIATES FOR THE PREPARATION OF CITALOPRAM AND ESCITALOPRAM H. LUNDBECK A/S (DK) 2004-09-30 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 (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-20080058536-A1 Intermediates for the preparation of citalopram and escitalopram SLC6A4, HTR4, HTR3C PRF1 4861/4885ALDH1A1 488/4885MEN1 2717/4885

“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.