SCHEMBL21656893

SCHEMBL21656893

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ LMNA P02545 1/20 0.45
▸ LIPE Q05469 7/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PLK1 P53350 2/20 0.43
▸ GRN P28799 2/20 0.42
▸ SORT1 Q99523 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL21656866 0.92 LMNA (0.45) OPRM1OPRD1LMNALIPEGRN
SCHEMBL21656977 0.88 LMNA (0.57) OPRM1OPRD1LMNALIPEGRN
SCHEMBL21656972 0.88 MAPT (0.48) OPRM1OPRD1LMNALIPEGRN
SCHEMBL21656587 0.88 HPGD (0.58) LMNAHPGDTSHRHTTSMN1; SMN2
SCHEMBL21656859 0.87 OPRM1 (0.49) OPRM1OPRD1LMNAOPRK1
SCHEMBL23228796 0.85 LMNA (0.42) LMNALIPEHPGDSMN1; SMN2HRH3
SCHEMBL21656983 0.85 PDE4B (0.50) LMNALIPETSHR
SCHEMBL21628553 0.82 OPRM1 (0.54) OPRM1OPRD1LMNALIPEHPGD
SCHEMBL23228824 0.82 HPGD (0.38) LMNAHPGDTSHRHTTSMN1; SMN2
SCHEMBL20953495 0.78 KDM4E (0.59) LMNALIPEHPGD

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 OPRM1 4075/4885OPRD1 3247/4885LMNA 3083/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885LMNA 3327/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885LMNA 3327/4885

“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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