SCHEMBL22455494

SCHEMBL22455494

CCCC(C)Cc1cc(OC(C)C)cc(OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL18467407 0.81 POLB (0.47) POLBALDH1A1
SCHEMBL18287222 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21653922 0.76 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8370932 0.72 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13550123 0.72 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26354651 0.71 PNMT (0.37) TSHR
SCHEMBL5916416 0.71 PTGS2 (0.45) TSHR
SCHEMBL19880763 0.71 NR3C1 (0.36) ALDH1A1TSHR
SCHEMBL14402848 0.71 NR3C1 (0.36) ALDH1A1TSHR
SCHEMBL24051070 0.70 GRIN2D (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides UNIVERSITY OF ROCHESTER 2020-09-24 — — 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-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides SPOUT1, NGLY1, VIP GRIN2D 3181/4885GRIN3B 2071/4885GRIN1 2672/4885

“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.

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