SCHEMBL322379

SCHEMBL322379

COC(=O)C1Cc2cc(O)ccc2C(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
OPRM1 P35372 4/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
Hydrochloric Acid SCHEMBL15123925 0.99 SOD1 (0.40) SOD1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15130523 0.86 CYP3A4 (0.35) OPRM1ALDH1A1CYP3A4
SCHEMBL14279586 0.86 CA12 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5341333 0.85 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3278208 0.83 ALDH1A1 (0.38) OPRM1ALDH1A1CYP3A4
SCHEMBL14279599 0.83 ALDH1A1 (0.38) OPRM1ALDH1A1CYP3A4
SCHEMBL3278212 0.83 ALDH1A1 (0.38) OPRM1ALDH1A1CYP3A4
SCHEMBL14279598 0.82 BACE1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15124349 0.78 CA12 (0.34) CA12CA1CA9
SCHEMBL15131836 0.76 SOD1 (0.39) SOD1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
EP-2590910-A2 FLUORINE RADIOLABELLING PROCESS Isis Innovation Limited (GB) 2013-05-15 EP disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 WO 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-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 SOD1 1051/4885GRIN2D 939/4885GRIN3B 962/4885

“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.