SCHEMBL21657014

SCHEMBL21657014

CN(C)C(=O)c1ccc(Oc2ccc(C3C4CC5CC(C4)CC3C5)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 7/20 0.39
MLNR O43193 4/20 0.38
LMNA P02545 1/20 0.37
LIPE Q05469 1/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 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
SCHEMBL23210684 0.86 MAPT (0.43) SMN1; SMN2POLBHRH3OPRM1OPRK1
SCHEMBL23210687 0.86 MAPT (0.43) SMN1; SMN2POLBHRH3OPRM1OPRK1
SCHEMBL21628808 0.85 HPGD (0.61) SMN1; SMN2ALDH1A1HPGD
SCHEMBL21628806 0.85 HPGD (0.61) SMN1; SMN2ALDH1A1HPGD
SCHEMBL23210666 0.85 LMNA (0.51) SMN1; SMN2ALDH1A1POLBHRH3LMNA
SCHEMBL23210665 0.85 LMNA (0.51) SMN1; SMN2ALDH1A1POLBHRH3LMNA
SCHEMBL21628647 0.85 OPRM1 (0.50) HRH3OPRM1OPRK1
SCHEMBL21628648 0.85 OPRM1 (0.50) HRH3OPRM1OPRK1
SCHEMBL21628510 0.84 OPRM1 (0.49) SMN1; SMN2HPGDPOLBHRH3LMNA
SCHEMBL21628508 0.84 OPRM1 (0.49) SMN1; SMN2HPGDPOLBHRH3LMNA

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 SMN1; SMN2 1107/4885ALDH1A1 900/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885ALDH1A1 717/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885ALDH1A1 717/4885HPGD 2579/4885

“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.