SCHEMBL16216243

SCHEMBL16216243

CC(C)C(O)c1ccc(F)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.61
▸ ADRB3 P13945 3/20 0.61
▸ ADRA2A P08913 2/20 0.61
▸ ADRA2B P18089 2/20 0.61
▸ ADRA2C P18825 2/20 0.61
▸ TDP1 Q9NUW8 6/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ RECQL P46063 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ APEX1 P27695 1/20 0.50

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
SCHEMBL16216092 1.00 ADRB1 (0.61) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL19360100 0.86 KDM4E (0.70) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL31074251 0.85 ADRB1 (0.58) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL10305119 0.83 ADRA2C (0.57) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL764880 0.83 TRPA1 (0.59) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL13158663 0.79 ADRB1 (0.45) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL16216180 0.79 PDE2A (0.42) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL20207693 0.79 ADRB1 (0.51) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL20201848 0.79 ADRB1 (0.51) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL15450368 0.79 TDP1 (0.46) ADRB1ADRB3ADRA2AADRA2BADRA2C

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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 — — US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 — — US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 — — 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRB1 1265/4885ADRB3 223/4885ADRA2A 688/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRB1 1265/4885ADRB3 223/4885ADRA2A 688/4885

“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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