SCHEMBL2930130

SCHEMBL2930130

CCOC(=O)c1c2c(c(C(=O)OCC)n1Cc1ccccc1)OCC(CC)(CC)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP2 O95551 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
SCHEMBL4236082 0.89 MAPK8 (0.46) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL182752 0.87 TSHR (0.43) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL2931696 0.86 ALDH1A1 (0.54) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL4236086 0.86 MAPK8 (0.43) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL182493 0.78 MAPT (0.62) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL215969 0.77 TSHR (0.44) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL15550285 0.73 KMT2A (0.47) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL2723479 0.73 MAPK8 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL23174424 0.70 TSHR (0.62) TSHRALDH1A1MAPK1MAPTLMNA
SCHEMBL29123133 0.70 TSHR (0.71) TSHRALDH1A1MAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461341-B1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS AGFA GEVAERT (BE) 2010-01-27 EP disclosed
US-6734312-B2 CONDENSING HYDROXY- GROUP OF A COMPOUND HAVING HETEROAROMATIC NUCLEUS, WITH AN ALCOHOL CONTAINING ONE OR MORE PRIMARY OR SECONDARY ALCOHOL GROUPS, OPTIONALLY USING THE REDOX COUPLE OF A TRIARYL- OR TRIALKYLPHOSPHINE AND AN AZODIOXO-COMPOUND AGFA-GEVAERT (BE) 2004-05-11 US disclosed
US-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents AGFA-GEVAERT (BE) 2003-08-28 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-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents ADH1C, ADH1A, CYP2E1 TSHR 1485/4885ALDH1A1 500/4885MAPK1 2582/4885

“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.