SCHEMBL18085022

SCHEMBL18085022

O=C(O)C1=CCc2c(OCC(O)COc3cccc4occc(=O)c34)cccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAOB P27338 2/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MAOA P21397 1/20 0.41
▸ ADRB2 P07550 4/20 0.32
▸ NMT2 O60551 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ NMT1 P30419 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABCB1 P08183 6/20 0.31

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
SCHEMBL18087662 0.87 GPR35 (0.70) GPR35LMNATDP1MAOBMEN1
SCHEMBL8990560 0.87 LMNA (0.43) GPR35LMNATDP1MEN1KMT2A
SCHEMBL17805844 0.81 GPR35 (0.39) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9246335 0.77 GPR35 (0.84) GPR35LMNATDP1MAOBMEN1
SCHEMBL20344350 0.76 GPR35 (0.68) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11209178 0.74 MAOB (0.56) GPR35LMNATDP1MAOBMEN1
SCHEMBL7767608 0.73 GPR35 (0.60) GPR35LMNATDP1MAOBMEN1
SCHEMBL21667484 0.73 GPR35 (0.60) GPR35LMNATDP1MEN1KMT2A
SCHEMBL26846821 0.72 GPR35 (0.49) GPR35LMNATDP1MEN1KMT2A
SCHEMBL10307303 0.72 TDP1 (0.59) GPR35LMNATDP1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271277-A1 Combination Therapies for the Treatment of Alzheimer's Disease and Related Disorders THE GENERAL HOSPITAL CORPORATION 2016-09-22 — — 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-20160271277-A1 Combination Therapies for the Treatment of Alzheimer's Disease and Related Disorders APP, SNCA, MAPT GPR35 1605/4885LMNA 3481/4885TDP1 691/4885

“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.

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