SCHEMBL21657013

SCHEMBL21657013

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GRN P28799 2/20 0.38
▸ SORT1 Q99523 2/20 0.38
▸ LIPE Q05469 6/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL23228796 0.88 LMNA (0.42) LMNASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL21656877 0.87 HPGD (0.55) ALDH1A1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL21657069 0.86 LMNA (0.56) LMNAALDH1A1MAPTGRNSORT1
SCHEMBL21628717 0.83 LMNA (0.47) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL21656657 0.82 PTGER4 (0.35) LMNASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL21166757 0.79 KDM4E (0.61) LMNASCN9AALDH1A1HPGDMAPT
SCHEMBL21656937 0.78 SLC6A2 (0.45) ALDH1A1SMN1; SMN2HPGD
SCHEMBL21628386 0.77 LMNA (0.63) LMNAALDH1A1SMN1; SMN2HPGDLIPE
SCHEMBL21628611 0.76 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL21628517 0.75 LMNA (0.54) LMNAALDH1A1SMN1; SMN2HPGDLIPE

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 2 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-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 (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-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885SCN9A 4603/4885ALDH1A1 900/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885SCN9A 4485/4885ALDH1A1 717/4885

“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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