SCHEMBL1022938

SCHEMBL1022938

CC1(C)CC(NC(=O)O)CC(C)(CNC(=O)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
EZH2 Q15910 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
RBP4 P02753 1/20 0.31

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
SCHEMBL1026429 0.94 TSHR (0.53) TSHREZH2TDP1APEX1MAPK1
SCHEMBL1023565 0.88 TSHR (0.46) TSHRTDP1MAPK1HTT
SCHEMBL2923735 0.88 TSHR (0.46) TSHREZH2TDP1HTT
SCHEMBL2930878 0.84 TSHR (0.49) TSHREZH2TDP1HTT
SCHEMBL1022837 0.83 TSHR (0.49) TSHREZH2TDP1HTT
SCHEMBL1023784 0.83 TSHR (0.36) TSHRAPEX1MAPK1
SCHEMBL1023766 0.82 TSHR (0.50) TSHRTDP1MAPK1HTT
SCHEMBL25176593 0.80 TSHR (0.54) TSHREZH2TDP1HTT
SCHEMBL15482425 0.80 TSHR (0.51) TSHREZH2TDP1HTT
SCHEMBL6526426 0.79 TSHR (0.55) TSHREZH2TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP 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-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR TSHR 4077/4885EZH2 3906/4885TDP1 3597/4885

“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.