SCHEMBL21656977

SCHEMBL21656977

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ P2RX3 P56373 3/20 0.42
▸ LIPE Q05469 8/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL21656983 0.90 PDE4B (0.50) LMNALIPEPDE4BMAPTKDM4E
SCHEMBL21656972 0.89 MAPT (0.48) LMNAP2RX3LIPEOPRM1OPRD1
SCHEMBL21656893 0.88 OPRM1 (0.49) LMNALIPEOPRM1OPRD1OPRK1
SCHEMBL21656866 0.88 LMNA (0.45) LMNALIPEOPRM1OPRD1OPRK1
SCHEMBL21657069 0.88 LMNA (0.56) LMNAP2RX3LIPEPDE4BMAPK1
SCHEMBL21656859 0.88 OPRM1 (0.49) LMNAP2RX3OPRM1OPRD1OPRK1
SCHEMBL21656483 0.86 MAPT (0.44) LMNAMAPK1ALDH1A1MAPT
SCHEMBL23228796 0.86 LMNA (0.42) LMNALIPEALDH1A1MAPT
SCHEMBL21656684 0.82 LMNA (0.64) LMNAP2RX3LIPEMAPK1OPRM1
SCHEMBL21656881 0.81 LMNA (0.40) LMNAP2RX3ALDH1A1MAPT

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 3083/4885P2RX3 2206/4885LIPE 4390/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885P2RX3 1886/4885LIPE 4438/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885P2RX3 1886/4885LIPE 4438/4885

“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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