SCHEMBL5584701

SCHEMBL5584701

O=C1CCCN1Cc1cccc(OCC2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

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
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACACB O00763 1/20 0.43
KMT2A Q03164 1/20 0.42
GRM2 Q14416 1/20 0.41
LTA4H P09960 1/20 0.41
GRIA2 P42262 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL5584698 1.00 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL5584399 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL5584397 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL15152662 0.80 L3MBTL1 (0.57) ALDH1A1TSHRSMN1; SMN2L3MBTL1POLB
SCHEMBL5584845 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL5584847 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL8799114 0.75 L3MBTL1 (0.53) L3MBTL1POLBHRH3ACACBKMT2A
SCHEMBL8799862 0.75 KMT2A (0.60) ALDH1A1TP53L3MBTL1HRH3KMT2A
SCHEMBL17048467 0.74 L3MBTL1 (0.67) ALDH1A1SMN1; SMN2L3MBTL1HRH3TDP1
SCHEMBL19828239 0.73 ALDH1A1 (0.74) 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.