SCHEMBL5064896

SCHEMBL5064896

O=C(O)C12C=C[C@H](CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 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
SCHEMBL218875 1.00 GRM2 (0.31) GRM2GRM3GRM4CYP1A2ALOX15
Hydrochloric Acid SCHEMBL471787 0.98
Formic Acid SCHEMBL8030842 0.94 GRM2 (0.32) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL5961836 0.93
SCHEMBL8876149 0.91
Lactic Acid SCHEMBL7559083 0.88 TP53 (0.35)
SCHEMBL7122613 0.88
SCHEMBL8103672 0.87 GRM8 (0.31) GRM2GRM3TDP1GRM8GRM6
SCHEMBL9094889 0.87
SCHEMBL7157746 0.87

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-20080265206-A1 Enzymatic conversion of 5-norbornene-2-carbonitrile to give 5-norbornene-2-carboxylic acid with a high substrate concentration; nucleic acid encoding said polypeptide; suitable for preparation of cyclic olefin copolymers, pharmaceutical intermediates, pesticides or fragrances BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 US claimed
US-20080265206-A1 Enzymatic conversion of 5-norbornene-2-carbonitrile to give 5-norbornene-2-carboxylic acid with a high substrate concentration; nucleic acid encoding said polypeptide; suitable for preparation of cyclic olefin copolymers, pharmaceutical intermediates, pesticides or fragrances BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 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-20080265206-A1 Enzymatic conversion of 5-norbornene-2-carbonitrile to give 5-norbornene-2-carboxylic acid with a high substrate concentration; nucleic acid encoding said polypeptide; suitable for preparation of cyclic olefin copolymers, pharmaceutical intermediates, pesticides or fragrances NT5E, NT5C2, CPN1 GRM2 2332/4885GRM3 3240/4885GRM4 3787/4885

“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.