SCHEMBL3226622

SCHEMBL3226622

OCCCC12CC3CC(CCCO)(C1)CC(CCCO)(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.43
GRIN3B O60391 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2A Q12879 5/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN2C Q14957 5/20 0.43
GRIN3A Q8TCU5 5/20 0.43
EPHX2 P34913 3/20 0.34
GBA1 P04062 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3231322 0.84 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758688 0.82 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3222135 0.81 ALDH1A1 (0.30)
SCHEMBL23539449 0.78
SCHEMBL18697067 0.78 EPHX2 (0.38) EPHX2KMT2A
SCHEMBL328618 0.75 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24728057 0.75 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9240799 0.73 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5713349 0.73 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15373723 0.73 GRIN1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-20130320326-A1 INSULATING MATERIAL FORMING COMPOSITION FOR ELECTRONIC DEVICES, INSULATING MATERIAL FOR ELECTRONIC DEVICES, ELECTRONIC DEVICES AND THIN FILM TRANSISTOR IDEMITSU KOSAN CO., LTD. 2013-12-05 US disclosed
US-20100048757-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed
EP-2090564-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2009-08-19 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-20100048757-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION DNMT3A, PRMT5, MEP1A GRIN2D 711/4885GRIN3B 1415/4885GRIN1 1167/4885

“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.