SCHEMBL23228796

SCHEMBL23228796

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LIPE Q05469 12/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 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
SCHEMBL21657013 0.88 LMNA (0.42) LMNASCN9AALDH1A1HPGDSMN1; SMN2
SCHEMBL21656972 0.88 MAPT (0.48) LMNAALDH1A1LIPEMAPT
SCHEMBL21656859 0.87 OPRM1 (0.49) LMNA
SCHEMBL23228794 0.86 HPGD (0.56) ALDH1A1HPGDSMN1; SMN2
SCHEMBL21656977 0.86 LMNA (0.57) LMNAALDH1A1LIPEMAPT
SCHEMBL21656893 0.85 OPRM1 (0.49) LMNAHPGDSMN1; SMN2LIPEHRH3
SCHEMBL21656983 0.85 PDE4B (0.50) LMNASCN9ALIPEMAPT
SCHEMBL21656866 0.85 LMNA (0.45) LMNALIPE
SCHEMBL21628717 0.82 LMNA (0.47) LMNAALDH1A1HPGDSMN1; SMN2LIPE
SCHEMBL23228802 0.82 SMN1; SMN2 (0.35) LMNASCN9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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 (1 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-20210107863-A2 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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