SCHEMBL1663839

SCHEMBL1663839

C=C(c1ccccc1Cl)c1ccccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
POLB P06746 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.39
GSR P00390 1/20 0.39
ERN1 O75460 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9493916 0.82 CES2 (0.56) CES2CES1ALDH1A1KMT2ALMNA
SCHEMBL6520356 0.79 NR4A1 (0.42) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL6520320 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL22386323 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL10978285 0.77 KMT2A (0.46) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL6525700 0.75 PARP1 (0.42) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL8385938 0.74 LMNA (0.52) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL2153679 0.73 CES2 (0.48) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL25567428 0.73 POLB (0.53) CES2CES1ALDH1A1POLBHPGD
SCHEMBL1509673 0.73 TDP1 (0.63) ALDH1A1KMT2AMEN1TDP1LMNA

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
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS MPL, CSF3R, CSF1R CES2 4758/4885CES1 4776/4885ALDH1A1 3164/4885

“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.