SCHEMBL4712867

SCHEMBL4712867

CC1(O)C2CC3CC(C2)CC1(Br)C3

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 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
SCHEMBL20526370 0.76 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4713608 0.76 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1930949 0.76 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4712692 0.73 GAA (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4709940 0.73 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1497426 0.73 LMNA (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7121406 0.70 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4710024 0.70 GLA (0.32)
SCHEMBL1930951 0.69 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4711516 0.68 THRB (0.34) ALDH1A1

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-1398309-B1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO (JP) 2008-02-20 EP disclosed
US-6833388-B2 1,3-adamantanedicarboxylic acid-bis(2'-alkyl-2'-adamantyl)-esters; photoresist additive; resin heat resistance improver; pharmaceutical and agrochemical intermediates IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-12-21 US disclosed
US-20040157923-A1 Novel adamantane derivative IDEMITSU KOSAN CO. LTD. (JP) 2004-08-12 US disclosed
EP-1398309-A1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-17 EP 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-20040157923-A1 Novel adamantane derivative TAS1R1, TAS2R1, ADORA1 ALDH1A1 225/4885GRIN2D 782/4885GRIN3B 1211/4885

“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.