SCHEMBL21628841

SCHEMBL21628841

CCOC(=O)c1ccc(Oc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
DPP4 P27487 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
THRB P10828 1/20 0.38
HSD17B2 P37059 1/20 0.38
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL21628843 1.00 OPRM1 (0.40) OPRM1OPRD1OPRK1DPP4CA12
SCHEMBL21628558 0.88 USP2 (0.43) OPRM1OPRD1OPRK1MAPTLMNA
SCHEMBL21628560 0.88 USP2 (0.43) OPRM1OPRD1OPRK1MAPTLMNA
SCHEMBL23210710 0.85 LMNA (0.48) CA12CA1CA2CA7CA9
SCHEMBL23210709 0.85 LMNA (0.48) CA12CA1CA2CA7CA9
SCHEMBL21656874 0.85 SLC6A3 (0.43) OPRM1OPRD1OPRK1GAAICAM1
SCHEMBL21628862 0.84 LMNA (0.46) OPRM1OPRD1OPRK1LMNA
SCHEMBL21628861 0.84 LMNA (0.46) OPRM1OPRD1OPRK1LMNA
SCHEMBL21628635 0.83 OPRK1 (0.45) OPRM1OPRD1OPRK1CA12CA1
SCHEMBL21628771 0.83 PARP10 (0.48) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 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
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 (5 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885OPRK1 2780/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRM1 4075/4885OPRD1 3247/4885OPRK1 3124/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885OPRK1 2780/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885OPRK1 2780/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRD1 2899/4885OPRK1 2780/4885

“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.