SCHEMBL5584901

SCHEMBL5584901

O=C(O)c1cc2c(OC[C@@H]3CO3)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
CSNK2A1 P68400 4/20 0.43
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
CSNK2A3 Q8NEV1 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
PTGS1 P23219 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9588603 0.89 ALDH1A1 (0.47) TDP1LMNAALDH1A1GLAKDM4E
SCHEMBL5584167 0.89 ALDH1A1 (0.47) TDP1LMNAALDH1A1GLAKDM4E
SCHEMBL5584261 0.86 ALDH1A1 (0.45) LMNAALDH1A1GLAKDM4ETSHR
SCHEMBL11249777 0.84 GPR35 (0.63) TDP1LMNAGPR35ALDH1A1GLA
SCHEMBL5584739 0.83 NPC1 (0.49) LMNAALDH1A1GLATSHRSMN1; SMN2
SCHEMBL27648961 0.82 IRAK4 (0.45) IRAK4
SCHEMBL5584823 0.82 RAB9A (0.43) LMNAALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL10508728 0.80 LMNA (0.46) TDP1LMNAALDH1A1GLATSHR
SCHEMBL5584569 0.80 LMNA (0.46) TDP1LMNAALDH1A1GLATSHR
SCHEMBL29749775 0.79 LMNA (0.47) TDP1LMNAGPR35GLACSNK2A1

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 TDP1 1791/4885LMNA 3559/4885GPR35 196/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A TDP1 1791/4885LMNA 3559/4885GPR35 196/4885

“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.