SCHEMBL179041

SCHEMBL179041

CCOC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C5OC(C)O5)cc(=O)c34)cccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
ADRB2 P07550 4/20 0.41
NMT2 O60551 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
NMT1 P30419 3/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCG2 Q9UNQ0 6/20 0.40
AKR1B1 P15121 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
SCHEMBL144592 0.89 GPR35 (0.58) GPR35LMNATDP1MEN1KMT2A
SCHEMBL25669938 0.85 GPR35 (0.54) GPR35LMNATDP1MEN1KMT2A
SCHEMBL13243279 0.84 GPR35 (0.49) GPR35LMNATDP1MEN1KMT2A
SCHEMBL115378 0.83 GPR35 (0.52) GPR35LMNATDP1MEN1KMT2A
SCHEMBL115418 0.83 GPR35 (0.52) GPR35LMNATDP1MEN1KMT2A
SCHEMBL13243180 0.82 GPR35 (0.39) GPR35LMNATDP1MEN1KMT2A
SCHEMBL116735 0.80 GPR35 (0.66) GPR35LMNATDP1MEN1KMT2A
SCHEMBL143979 0.80 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL21556363 0.78 GPR35 (0.55) GPR35LMNATDP1MEN1KMT2A
SCHEMBL25472684 0.76 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A

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-20120058049-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2012-03-08 US disclosed
WO-2010088455-A2 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2010-08-05 WO 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-20120058049-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT CLN6, CA6, GALNT6 GPR35 699/4885LMNA 186/4885TDP1 1467/4885

“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.