SCHEMBL5201084

SCHEMBL5201084

CCC1CC=CC(C)C12CCCCC2=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LMNA P02545 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
SCHEMBL5201042 0.95
SCHEMBL5201556 0.95
SCHEMBL5200089 0.95
SCHEMBL5200081 0.71 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5199759 0.71 ALOX15 (0.32)
SCHEMBL5199070 0.66
SCHEMBL3866111 0.59 CYP19A1 (0.32)
SCHEMBL5199859 0.57 ALOX15 (0.36) TSHR
SCHEMBL2692225 0.56 GRIN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5272465 0.56 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411110-B1 Spiro compounds as perfuming ingredients FIRMENICH & CIE (CH) 2007-08-22 EP disclosed
US-7256170-B2 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2007-08-14 US disclosed
EP-1411110-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-21 EP disclosed
US-20040072721-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-15 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-20040072721-A1 Spiro compounds as perfuming ingredients SORD, PIR, AKR1C4 GRIN2D 4449/4885GRIN3B 4563/4885GRIN1 4726/4885

“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.