SCHEMBL3781317

SCHEMBL3781317

COC(=O)[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)OC)[C@@H](C(=O)OC)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3694474 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3694479 0.86 PPM1B (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25550044 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25550042 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3694476 0.82 PPM1B (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18560062 0.80 SLC6A3 (0.42) CHRM2CHRM4CHRM3PPM1BPTPN1
SCHEMBL13517141 0.79 CYP2C19 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17850116 0.79 CYP2C19 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2680879 0.78 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7642397 0.78 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-7795370-B2 Tetracarboxylic acid compound, polyimide thereof, and production method thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-14 US disclosed
US-20090182114-A1 TETRACARBOXYLIC ACID COMPOUND, POLYIMIDE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2009-07-16 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-20090182114-A1 TETRACARBOXYLIC ACID COMPOUND, POLYIMIDE THEREOF, AND PRODUCTION METHOD THEREOF CA1, TTC14, F12 CHRNB2 4771/4885CHRNB4 4749/4885CHRNA3 4094/4885

“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.