SCHEMBL5584789

SCHEMBL5584789

O=C(c1cc2c(O)cccc2o1)[N+]1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
AKR1C3 P42330 2/20 0.35
MAOA P21397 3/20 0.35
CSNK2A1 P68400 3/20 0.34
USP2 O75604 2/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A3 Q8NEV1 2/20 0.34
PTGS1 P23219 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL5584787 0.75 RAB9A (0.53) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL3484205 0.74 KDM4E (0.45) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL27512419 0.74 CSNK2A1 (0.59) KDM4EMAPTHSD17B10MEN1ALDH1A1
Methane SCHEMBL27891504 0.72 CSNK2A1 (0.57) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL5584152 0.72 KDM4E (0.65) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL3621261 0.69 CA12 (0.50) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL5585019 0.69 MAPT (0.62) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL5584615 0.66 NPC1 (0.51) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL29654178 0.63 HPGD (0.58) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL10507437 0.63 CA2 (0.56) KDM4EMAPTHSD17B10MEN1ALOX12

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 KDM4E 610/4885MAPT 949/4885HSD17B10 2091/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM4E 610/4885MAPT 949/4885HSD17B10 2091/4885

“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.