SCHEMBL6505023

SCHEMBL6505023

CC(=O)OCC(CCc1ccccc1)COC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP12 P39900 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
CNR2 P34972 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL6506348 0.83 KMT2A (0.40) ALDH1A1MMP12MEN1KMT2AHPGD
SCHEMBL6501062 0.83 TYR (0.45) ALDH1A1
SCHEMBL6499914 0.82 CYP4F2 (0.55) ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL6154419 0.82 ALDH1A1 (0.58) ALDH1A1
SCHEMBL5930158 0.81 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2TDP1HTT
SCHEMBL7925112 0.79 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2KMT2AHPGD
SCHEMBL6155033 0.78 ALDH1A1 (0.53) ALDH1A1
SCHEMBL6154390 0.78 ALDH1A1 (0.53) ALDH1A1
SCHEMBL6153592 0.78 ALDH1A1 (0.53) ALDH1A1
SCHEMBL6559718 0.77 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2TDP1MEN1

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-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US disclosed
CN-1290819-C 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate MITSUBISHI PHARMACEUTICAL CO L (JP) 2006-12-20 CN disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
CN-1480450-A 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate ������ҩ��ʽ���� 2004-03-10 CN disclosed
CN-1137086-C 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof ������ҩ��ʽ���� 2004-02-04 CN disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN 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 (1 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-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE S1PR2, S1PR4, S1PR5 ALDH1A1 1249/4885TSHR 2241/4885SMN1; SMN2 410/4885

“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.