SCHEMBL5584822

SCHEMBL5584822

CC(=O)c1oc2cccc(OC[C@@H]3CO3)c2c1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NMT2 O60551 7/20 0.44
▸ NMT1 P30419 7/20 0.44
▸ ADRB2 P07550 4/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 3/20 0.43

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
SCHEMBL6873768 0.87 NPC1 (0.63) EDNRAALDH1A1KDM4ENPC1RAB9A
SCHEMBL27669293 0.77 EDNRA (0.54) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3617915 0.76 EDNRA (0.65) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL5584167 0.75 ALDH1A1 (0.47) ALDH1A1GLAKDM4EHSD17B10NMT2
SCHEMBL9588603 0.75 ALDH1A1 (0.47) ALDH1A1GLAKDM4EHSD17B10NMT2
SCHEMBL27593891 0.75 EDNRA (0.51) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL27648970 0.74 NMT2 (0.59) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL732840 0.74 ALDH1A1 (0.73) ALDH1A1GLAADRB2
SCHEMBL11744164 0.74 NPC1 (0.43) ALDH1A1GLAKDM4ENPC1RAB9A
SCHEMBL3617244 0.73 NPC1 (0.65) ALDH1A1KDM4ENPC1RAB9AHSD17B10

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 — — US disclosed
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 EDNRA 173/4885ALDH1A1 443/4885GLA 3730/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A EDNRA 173/4885ALDH1A1 443/4885GLA 3730/4885

“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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