SCHEMBL21656527

SCHEMBL21656527

CCCCc1ccc(Oc2ccc(C(=O)OC)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
OPRM1 P35372 9/20 0.54
OPRD1 P41143 9/20 0.54
OPRK1 P41145 7/20 0.54
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MDH1 P40925 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GRIN1 Q05586 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
ROCK1 Q13464 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
CYP4A11 Q02928 2/20 0.49
ACACB O00763 2/20 0.48

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
SCHEMBL21656861 0.96 MAPT (0.56) LMNAOPRM1OPRD1OPRK1MAPT
SCHEMBL21656682 0.95 MAPT (0.55) LMNAOPRM1OPRD1OPRK1MAPT
SCHEMBL21656679 0.92 LMNA (0.56) LMNAOPRM1OPRD1OPRK1GRIN2D
SCHEMBL21656688 0.89 PDE4B (0.53) LMNAOPRM1OPRD1OPRK1MAPT
SCHEMBL21656974 0.88 LMNA (0.60) LMNAOPRM1OPRD1OPRK1MAPT
SCHEMBL21656822 0.87 GRM2 (0.57) LMNAOPRM1OPRD1OPRK1MAPT
SCHEMBL21628790 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1SMN1; SMN2GRIN2D
SCHEMBL21628456 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL21628606 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL21656841 0.84 CYP4A11 (0.64) MAPTSMN1; SMN2MDH1CYP4A11CYP4F2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (5 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR LMNA 832/4885OPRM1 817/4885OPRD1 706/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885OPRM1 3978/4885OPRD1 2899/4885

“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.