SCHEMBL21656866

SCHEMBL21656866

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(=O)NO)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ LIPE Q05469 9/20 0.44
▸ GRN P28799 2/20 0.42
▸ SORT1 Q99523 2/20 0.42
▸ OPRM1 P35372 3/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ POLB P06746 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
SCHEMBL21656893 0.92 OPRM1 (0.49) LMNALIPEGRNSORT1OPRM1
SCHEMBL21656977 0.88 LMNA (0.57) LMNALIPEGRNSORT1OPRM1
SCHEMBL21656972 0.88 MAPT (0.48) LMNALIPEGRNSORT1OPRM1
SCHEMBL21656579 0.88 CA1 (0.45) HDAC1HDAC6HDAC2HDAC8POLB
SCHEMBL21656859 0.87 OPRM1 (0.49) LMNAOPRM1OPRD1OPRK1
SCHEMBL23228796 0.85 LMNA (0.42) LMNALIPE
SCHEMBL21656983 0.85 PDE4B (0.50) LMNALIPE
SCHEMBL21628821 0.82 LMNA (0.50) LMNALIPEGRNSORT1OPRM1
SCHEMBL23228815 0.82 HDAC6 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL20953495 0.78 KDM4E (0.59) LMNALIPEPOLB

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 3083/4885LIPE 4390/4885GRN 2819/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885LIPE 4438/4885GRN 2924/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885LIPE 4438/4885GRN 2924/4885

“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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