SCHEMBL339706

SCHEMBL339706

C=C(C)C(=O)NCOC(=O)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL339532 0.81 MEN1 (0.46) TSHRMEN1KMT2ATGFBR1RXFP1
SCHEMBL18808392 0.81 TGFBR1 (0.33) TSHRTGFBR1THRBALDH1A1
SCHEMBL784654 0.80 TGFBR1 (0.40) TSHRTGFBR1RXFP1THRB
SCHEMBL468827 0.79 ALDH1A1 (0.39) TSHRTGFBR1THRBALDH1A1
SCHEMBL16803338 0.79 ALDH1A1 (0.42) TSHRTGFBR1THRBALDH1A1
SCHEMBL18007139 0.79 TGFBR1 (0.35) TSHRTGFBR1
SCHEMBL340563 0.79 ALDH1A1 (0.41) TSHRMEN1KMT2AALDH1A1
SCHEMBL17250046 0.78 THRB (0.48) TSHRTGFBR1THRBALDH1A1
SCHEMBL339839 0.77 TSHR (0.35) TSHRMEN1KMT2ATGFBR1RXFP1
SCHEMBL855074 0.76 TGFBR1 (0.37) TSHRMEN1KMT2ATGFBR1RXFP1

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-20120015034-A1 TEMPERATURE SENSITIVE POLYMERS UNIVERSITEIT UTRECHT (NL) 2012-01-19 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-20120015034-A1 TEMPERATURE SENSITIVE POLYMERS LCT, LDHA, LDHB TSHR 4451/4885MEN1 3434/4885KMT2A 2446/4885

“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.