SCHEMBL810644

SCHEMBL810644

COC(=O)C(NC(=O)c1cc(C(=O)NC(C(=O)OC)C(C)C)cc(C(=O)NC(C(=O)OC)C(C)C)c1)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.69
TAS1R1 Q7RTX1 4/20 0.69
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
BCL2L1 Q07817 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TACR3 P29371 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL28637679 0.85 MAPK1 (0.62) TAS1R3TAS1R1MEN1KMT2ABCL2L1
SCHEMBL3145120 0.85 MAPK1 (0.62) TAS1R3TAS1R1MEN1KMT2ABCL2L1
SCHEMBL25638141 0.84 TAS1R3 (0.56) TAS1R3TAS1R1MEN1KMT2ACYP2C9
SCHEMBL21166994 0.84 TAS1R3 (0.56) TAS1R3TAS1R1MEN1KMT2ACYP2C9
SCHEMBL810651 0.84 TAS1R3 (0.55) TAS1R3TAS1R1MAPTALDH1A1HTT
SCHEMBL7949230 0.83 TAS1R3 (0.55) TAS1R3TAS1R1MEN1KMT2AMAPT
SCHEMBL9817977 0.83 TAS1R3 (0.55) TAS1R3TAS1R1MEN1KMT2AMAPT
SCHEMBL17140418 0.83 TAS1R3 (0.58) TAS1R3TAS1R1MEN1KMT2ACYP2C9
SCHEMBL17140421 0.83 TAS1R3 (0.58) TAS1R3TAS1R1MEN1KMT2ACYP2C9
SCHEMBL10793229 0.83 TAS1R3 (0.55) TAS1R3TAS1R1MEN1KMT2AMAPT

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-7902281-B2 Thermoplastic resin composition and molded article thereof MITSUI CHEMICALS, INC. (JP) 2011-03-08 US disclosed
US-20090186992-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE THEREOF MITSUI CHEMICALS, INC (JP) 2009-07-23 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-20090186992-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE THEREOF TRIM59, TRIM4, MAP1LC3C TAS1R3 1722/4885TAS1R1 1732/4885MEN1 2431/4885

“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.