SCHEMBL21261767

SCHEMBL21261767

Oc1cc(O)cc(OC2CC/C=C/CCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ FURIN P09958 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ PDK2 Q15119 3/20 0.31
▸ KAT6A Q92794 2/20 0.30
▸ GRM5 P41594 2/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL19680522 0.88 PARP10 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11808579 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15934217 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28109846 0.76 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28109848 0.74 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21261765 0.72 HRH1 (0.57) PARP10ALDH1A1TSHRKAT6A
SCHEMBL21945034 0.70 GPR35 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2385609 0.69 POLB (0.54) ALDH1A1PDK2KAT6AOPRM1OPRK1
SCHEMBL6063449 0.69 OPRM1 (0.51) PARP10ALDH1A1PDK2KAT6AOPRM1
SCHEMBL17933968 0.68 CA12 (0.56) PARP10KAT6AGRM5

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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 — — US disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 — — US disclosed
US-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-08-15 — — 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 (2 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-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD GRIN2D 4101/4885GRIN3B 3760/4885GRIN1 3706/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD GRIN2D 4063/4885GRIN3B 3725/4885GRIN1 3673/4885

“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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