SCHEMBL18652192

SCHEMBL18652192

CC(C)(C)COC(=O)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
MAPK1 P28482 2/20 0.49
HIF1A Q16665 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SERPINE1 P05121 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PARP1 P09874 1/20 0.46
NFKB1 P19838 1/20 0.45

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
SCHEMBL23484564 0.90 ADRB2 (0.57) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL9295363 0.90 MAPK1 (0.53) ADRB2ADRB1ADRB3MAPK1HIF1A
SCHEMBL23484460 0.86 MAPK1 (0.65) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL23484565 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4395859 0.83 RAB9A (0.60) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL9988314 0.83 MAPK1 (0.51) RAB9ANPC1MAPK1HIF1ACA12
SCHEMBL18650109 0.83 ADRB2 (0.57) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL14169738 0.82 CYP4F2 (0.52) RAB9ANPC1MAPK1HIF1ACA2
SCHEMBL811616 0.82 CHRM2 (0.55) RAB9AESR1ESR2MAPK1HIF1A
SCHEMBL23484318 0.82 MAPK1 (0.59) ADRB2ADRB1ADRB3RAB9ANPC1

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-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 ADRB2 4474/4885ADRB1 4811/4885ADRB3 4730/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS ADRB2 4748/4885ADRB1 4771/4885ADRB3 4668/4885

“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.