SCHEMBL5584751

SCHEMBL5584751

FC(F)(F)c1nnc(-c2cc3cccc(OC[C@@H]4CO4)c3o2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.39
ADCY1 Q08828 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
HDAC6 Q9UBN7 6/20 0.34
VDR P11473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
F2RL3 Q96RI0 3/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL5584275 0.83 ALDH1A1 (0.38) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL5584839 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HDAC6KDM4ERAB9A
SCHEMBL5585190 0.77 ALDH1A1 (0.46) ADCY8ADCY1ALDH1A1GLASMN1; SMN2
SCHEMBL5584744 0.74 AKR1C3 (0.42) ALDH1A1HDAC6KDM4EF2RL3CYP1A2
SCHEMBL5584756 0.73 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL5584540 0.72 ALDH1A1 (0.40) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL10507161 0.72 ALDH1A1 (0.47) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL10970701 0.70 ALDH1A1 (0.44) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL10512374 0.68 CA2 (0.46) ALDH1A1GLASMN1; SMN2CYP3A4TP53
SCHEMBL10510439 0.68 ALDH1A1 (0.48) ALDH1A1GLASMN1; SMN2CYP3A4TP53

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 12 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 claimed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
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 ADCY8 4352/4885ADCY1 1918/4885ALDH1A1 443/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ADCY8 4352/4885ADCY1 1918/4885ALDH1A1 443/4885

“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.