SCHEMBL6285589

SCHEMBL6285589

CNC[C@H](O)c1cc(O)c(O)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 1.00
ADRA2B P18089 7/20 1.00
ADRA2C P18825 7/20 1.00
ADRA1A P35348 4/20 1.00
ADRB2 P07550 4/20 0.70
ADRB1 P08588 4/20 0.70
ADRB3 P13945 4/20 0.70
CYP3A4 P08684 2/20 0.61
HSD17B10 Q99714 2/20 0.61
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
KDM4E B2RXH2 3/20 0.59
APEX1 P27695 2/20 0.59
RECQL P46063 2/20 0.59
BLM P54132 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
RAD52 P43351 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.51

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
SCHEMBL12287584 1.00 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL29176367 0.82 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6280391 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6283848 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL16216157 0.79 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6145383 0.77 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL5354526 0.76 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1691820 0.76 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL13158583 0.76 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL26672809 0.74 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1AADRB2

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-6900203-B2 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them POLIUM TECHNOLOGIES, INC. (US) 2005-05-31 US disclosed
US-20040002549-A1 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-01 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 (1 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-20040002549-A1 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them ACHE, ALKBH3, BCHE ADRA2A 1296/4885ADRA2B 944/4885ADRA2C 681/4885

“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.