SCHEMBL5111499

SCHEMBL5111499

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
KMT2A Q03164 6/20 0.40
POLB P06746 4/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
MEN1 O00255 3/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL4932767 0.90 ALDH1A1 (0.46) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL4931960 0.90 ALDH1A1 (0.45) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5111642 0.90 KMT2A (0.46) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL4933736 0.88 ALDH1A1 (0.44) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5108656 0.88 ALDH1A1 (0.46) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5118576 0.88 ALDH1A1 (0.46) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5118012 0.88 ALDH1A1 (0.56) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5118488 0.87 ALDH1A1 (0.43) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL4929827 0.87 THRB (0.46) ALDH1A1THRBTHRAKMT2APOLB
SCHEMBL5116413 0.87 THRB (0.46) ALDH1A1THRBTHRAKMT2APOLB

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 ALDH1A1 2530/4885THRB 4/4885THRA 3/4885

“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.