SCHEMBL11941563

SCHEMBL11941563

CCc1cccc(OCCC2OCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACACB O00763 3/20 0.46
POLB P06746 1/20 0.45
SOD1 P00441 1/20 0.45
ACACA Q13085 1/20 0.44
GAA P10253 1/20 0.44
GRM2 Q14416 1/20 0.42
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11941542 0.85 GRM2 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL28306905 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL26986055 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL11943318 0.81 LMNA (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL18320646 0.81 ALDH2 (0.45) ALDH1A1KDM4ESMN1; SMN2TSHRACACB
SCHEMBL18320474 0.80 ACACB (0.45) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TSHR
SCHEMBL14166366 0.79 ACACB (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL15295402 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL11937220 0.78 FFAR1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1TSHRACACB
SCHEMBL14166208 0.78 ACACB (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227456-B2 Pharmaceutical composition for preventing and treating metabolic bone diseases containing alpha-arylmethoxyacrylate derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-07-24 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 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 (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-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 ALDH1A1 721/4885KDM4E 1873/4885SMN1; SMN2 1743/4885

“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.