SCHEMBL18329148

SCHEMBL18329148

C=CC(=O)NC(C)(C)C(CCC(C)(NC(=O)C=C)C(CCC(C)(NC(=O)C=C)C(CCC(C(C)(CCC(C(C)(CCC(C(C)(C)NC(=O)C=C)S(=O)(=O)O)NC(=O)C=C)S(=O)(=O)O)NC(=O)C=C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL456586 0.85 TSHR (0.34) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL28537993 0.78 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL1702497 0.73 TSHR (0.38) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL1001811 0.72 TSHR (0.36) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL4637933 0.72 TSHR (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL26192645 0.71 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8576089 0.71 TSHR (0.37) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8524798 0.70 TSHR (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL18329140 0.70 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL8523447 0.69 TSHR (0.34) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369017-A1 CURABLE COMPOSITION, POLYMER FUNCTIONAL CURED PRODUCT, WATER-SOLUBLE ACRYLAMIDE COMPOUND, AND METHOD FOR MANUFACTURING SAME FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-20160369017-A1 CURABLE COMPOSITION, POLYMER FUNCTIONAL CURED PRODUCT, WATER-SOLUBLE ACRYLAMIDE COMPOUND, AND METHOD FOR MANUFACTURING SAME FUJIFILM CORPORATION (JP) 2016-12-22 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-20160369017-A1 CURABLE COMPOSITION, POLYMER FUNCTIONAL CURED PRODUCT, WATER-SOLUBLE ACRYLAMIDE COMPOUND, AND METHOD FOR MANUFACTURING SAME MRPL21, WDR1, CCNT1 MEN1 804/4885KMT2A 1390/4885ALDH1A1 66/4885

“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.