SCHEMBL5584906

SCHEMBL5584906

COCCN1CCC(=Cc2ccccc2OC)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL14571678 1.00 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL5584703 0.81 ALDH1A1 (0.51) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL17899561 0.70 ACHE (0.65) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL31518795 0.70 ACHE (0.65) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL16745481 0.69 EGFR (0.77) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL29500300 0.69 DRD3 (0.55) ALDH1A1ACHEDRD3
SCHEMBL11375132 0.69 ACHE (0.52) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL5810628 0.68 DRD2 (0.43) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL9299869 0.68 EGFR (0.63) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3438149 0.68 EGFR (0.59) ALDH1A1MAPTGAAKDM4EL3MBTL1

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 ALDH1A1 443/4885MAPT 949/4885GAA 4054/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885MAPT 949/4885GAA 4054/4885

“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.

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