SCHEMBL18009646

SCHEMBL18009646

CCC12CC3CC(c4ccc(O)cc4)(C1)CC(c1cccc(O)c1)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
ESR1 P03372 1/20 0.39
OPRM1 P35372 5/20 0.38
ACHE P22303 2/20 0.38
SLC22A1 O15245 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 5/20 0.38
OPRD1 P41143 3/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL16670736 0.89 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18028225 0.84 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18009637 0.81 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17042309 0.78 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17042695 0.77 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19149691 0.76 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18009643 0.76 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6761991 0.75 ESR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17042864 0.75 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18009651 0.75 GRIN2D (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061742-A1 1,3-BIS(HYDROXYPHENYL)-5-ETHYLADAMANTANE COMPOUND AND METHOD FOR PRODUCTION THEREOF, AND AROMATIC POLYCARBONATE RESIN AND METHOD FOR PRODUCTION THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2016-08-31 EP disclosed
US-20160244389-A1 1,3-BIS(HYDROXYPHENYL)-5-ETHYLADAMANTANE COMPOUND AND METHOD FOR PRODUCTION THEREOF, AND AROMATIC POLYCARBONATE RESIN AND METHOD FOR PRODUCTION THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-08-25 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-20160244389-A1 1,3-BIS(HYDROXYPHENYL)-5-ETHYLADAMANTANE COMPOUND AND METHOD FOR PRODUCTION THEREOF, AND AROMATIC POLYCARBONATE RESIN AND METHOD FOR PRODUCTION THEREOF PAH, CYP51A1, HPD GRIN2D 2979/4885GRIN3B 3892/4885GRIN1 3250/4885

“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.