SCHEMBL5584397

SCHEMBL5584397

O=C1OCCN1Cc1cccc(OC[C@@H]2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
GRM2 Q14416 3/20 0.52
HRH3 Q9Y5N1 3/20 0.46
NAAA Q02083 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
TNIK Q9UKE5 3/20 0.42
FAAH O00519 1/20 0.41
LTA4H P09960 1/20 0.41
DRD4 P21917 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
SCHEMBL5584399 1.00 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL5584701 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL5584698 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL19828239 0.73 ALDH1A1 (0.74) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13181403 0.72 MEN1 (0.46) GRM2NAAACYP11B1CYP11B2ROCK2
SCHEMBL37802 0.72 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL31537002 0.72 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL12289601 0.72 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL31537008 0.72 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13806572 0.72 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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 4 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-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

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 443/4885TP53 3781/4885CYP3A4 855/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885TP53 3781/4885CYP3A4 855/4885

“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.