SCHEMBL5111642

SCHEMBL5111642

CC(=O)Nc1cc(C)cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 3/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HPGD P15428 1/20 0.37
PTPRB P23467 1/20 0.37
USP2 O75604 1/20 0.37
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
LMNA P02545 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
SCHEMBL5111499 0.90 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL4931960 0.90 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL4929827 0.89 THRB (0.46) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL5107398 0.88 THRB (0.45) KMT2AMEN1POLBTHRATHRB
SCHEMBL5110746 0.88 RORC (0.40) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL4932767 0.88 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL5115351 0.88 MEN1 (0.44) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL5116413 0.87 THRB (0.46) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL4933736 0.86 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1POLBTHRA
SCHEMBL5117180 0.86 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1POLBTHRA

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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA KMT2A 2895/4885MEN1 806/4885ALDH1A1 2530/4885

“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.