SCHEMBL2355646

SCHEMBL2355646

[C]OCc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.58
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.44
MAOB P27338 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP10 Q53GL7 1/20 0.40
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL514167 0.79 AGXT (0.58) AGXTCA1CA2CA9IDO1
SCHEMBL9617939 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL3161372 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL958300 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL586154 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
Potassium SCHEMBL586332 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
SCHEMBL12378 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
Lithium SCHEMBL585057 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
SCHEMBL1151673 0.75 IDO1 (0.61) AGXTCA1CA2CA9IDO1
SCHEMBL22754183 0.75 AGXT (0.54) AGXTCA1CA2CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190497-A1 Process for production of 2,5 dioxopyrrolidine 3 carboxylate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-08-04 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-20110190497-A1 Process for production of 2,5 dioxopyrrolidine 3 carboxylate REN, PKD1, KCNT1 AGXT 1095/4885CA1 357/4885CA2 100/4885

“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.