SCHEMBL3779680

SCHEMBL3779680

O=C(OC(=O)C1C2CC(O)C(C2)C1C(=O)O)C1C2CC(O)C(C2)C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.31
GRM8 O00222 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
GRM4 Q14833 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
SCHEMBL9535121 0.87 TDP1 (0.38) POLBTDP1PKMGRM8GRM2
SCHEMBL5795999 0.87 TDP1 (0.38) POLBTDP1PKMGRM8GRM2
SCHEMBL3782939 0.80 GABRR1 (0.33) POLBTDP1PKM
SCHEMBL16424387 0.78 PPP5C (0.35) POLBTDP1PKMGRM2GRM3
SCHEMBL3779293 0.77 POLB (0.31) POLBTDP1
SCHEMBL3787761 0.77 POLB (0.31) POLBTDP1
SCHEMBL6321813 0.76 POLB (0.44) POLBTDP1GRM8GRM2GRM3
SCHEMBL3779503 0.74
SCHEMBL17850116 0.73 CYP2C19 (0.38)
SCHEMBL19971920 0.73 PPM1B (0.31) PKM

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 POLB 3322/4885TDP1 3178/4885PKM 3120/4885

“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.