SCHEMBL366543

SCHEMBL366543

C=CC(NC(=O)C(=C)C)OC(=O)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
TSHR P16473 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
Lactic Acid SCHEMBL366542 0.73 TGFBR1 (0.46) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL30214 0.72 TGFBR1 (0.44) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL3388819 0.72 TGFBR1 (0.44) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL339839 0.70 TSHR (0.35) TGFBR1TSHRRXFP1
SCHEMBL9016917 0.70 TSHR (0.40) TSHRALDH1A1
SCHEMBL8973234 0.69 TSHR (0.36) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL50197 0.69
SCHEMBL18660317 0.69 TSHR (0.41) TGFBR1TSHRALDH1A1
Urea SCHEMBL1784480 0.68 TGFBR1 (0.40) TGFBR1TSHRRXFP1
SCHEMBL28408867 0.68 TGFBR1 (0.40) TGFBR1TSHRRXFP1ALDH1A1

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 TGFBR1 4012/4885TSHR 4451/4885RXFP1 4650/4885

“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.