SCHEMBL21657069

SCHEMBL21657069

C=CCC(C)(CC)c1ccc(Oc2ccc(C(=O)OC)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ GRN P28799 2/20 0.41
▸ SORT1 Q99523 2/20 0.41
▸ LIPE Q05469 6/20 0.40
▸ P2RX3 P56373 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL21656977 0.88 LMNA (0.57) LMNAGRNSORT1LIPEP2RX3
SCHEMBL23228713 0.86 LMNA (0.43) LMNAMAPTALDH1A1HTTMAPK1
SCHEMBL21657013 0.86 LMNA (0.42) LMNAGRNSORT1LIPEMAPT
SCHEMBL21656684 0.83 LMNA (0.64) LMNAGRNSORT1LIPEP2RX3
SCHEMBL21166757 0.80 KDM4E (0.61) LMNAMAPTALDH1A1GFERMAPK1
SCHEMBL21656983 0.79 PDE4B (0.50) LMNALIPEMAPTPDE4B
SCHEMBL21656908 0.78 ALDH1A1 (0.46) LMNAMAPTALDH1A1MAPK1
SCHEMBL21656972 0.77 MAPT (0.48) LMNAGRNSORT1LIPEP2RX3
SCHEMBL1437114 0.77 LMNA (0.85) LMNALIPEMAPTHTT
SCHEMBL21656974 0.76 LMNA (0.60) LMNAP2RX3MAPTMAPK1OPRM1

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-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-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 (3 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885GRN 2819/4885SORT1 4721/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885GRN 2924/4885SORT1 4732/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885GRN 2924/4885SORT1 4732/4885

“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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