SCHEMBL4364820

SCHEMBL4364820

O=C1CCC(Cc2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.53
CYP26A1 O43174 2/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
CAPN1 P07384 1/20 0.44
ESR1 P03372 4/20 0.44
CYP19A1 P11511 2/20 0.42

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
SCHEMBL14734507 0.83 GRIN2B (0.49) ESR2GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL16902819 0.83 GRIN2B (0.49) ESR2GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL8008639 0.81 OPRM1 (0.42) GRIN1
SCHEMBL5846563 0.81 EPHX2 (0.42) GRIN1GRIN2B
SCHEMBL6785682 0.81 ALDH1A1 (0.50) GRIN1GRIN2B
SCHEMBL27979790 0.80 KMT2A (0.50)
SCHEMBL5675291 0.80 GBA1 (0.57) GRIN2B
SCHEMBL12290753 0.79 ESR1 (0.50) ESR2GRIN2DGRIN3BADRA1DADRA1A
Bicarbonate SCHEMBL2854194 0.79 GBA1 (0.52)
SCHEMBL18594867 0.78 P4HB (0.49) ESR2GRIN2DGRIN3BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091433-A2 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-07-23 WO disclosed
US-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-6313351-B1 Process for producing alicyclic monoketones and process for producing alicyclic diketones HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-06 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-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE ESR2 1687/4885CYP26A1 229/4885GRIN2D 4284/4885

“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.