SCHEMBL5584569

SCHEMBL5584569

O=C(O)c1cc2cccc(OC[C@@H]3CO3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
PIM1 P11309 4/20 0.46
PIM2 Q9P1W9 4/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 5/20 0.45
GLA P06280 1/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL10508728 1.00 LMNA (0.46) LMNARECQLPIM1PIM2KMT2A
SCHEMBL10910955 0.89 LMNA (0.61) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL10507571 0.89 ALDH1A1 (0.60) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL9589246 0.89 LMNA (0.61) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL11748725 0.88 RAB9A (0.62) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL10510864 0.84 ALDH1A1 (0.46) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL5584769 0.83 HRH3 (0.52) LMNARECQLSMN1; SMN2NPC1RAB9A
SCHEMBL2649753 0.80 KMT2A (0.59) LMNARECQLKMT2ASMN1; SMN2MEN1
SCHEMBL5584901 0.80 TDP1 (0.45) LMNAPIM1SMN1; SMN2ALDH1A1GLA
SCHEMBL10512374 0.80 CA2 (0.46) LMNASMN1; SMN2ALDH1A1GLATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A LMNA 3559/4885RECQL 2332/4885PIM1 3297/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A LMNA 3559/4885RECQL 2332/4885PIM1 3297/4885

“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.