SCHEMBL6283848

SCHEMBL6283848

CNCC(O)c1cc(O)ccc1F

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 0.65
ADRB1 P08588 5/20 0.57
ADRB3 P13945 5/20 0.57
HIF1A Q16665 4/20 0.53
KDM4E B2RXH2 4/20 0.53
BLM P54132 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTR1A P08908 2/20 0.53
ALDH1A1 P00352 2/20 0.53
THPO P40225 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NMUR2 Q9GZQ4 1/20 0.53
CYP2C9 P11712 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ADRB2 P07550 4/20 0.51
TSHR P16473 2/20 0.51
DRD1 P21728 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
SCHEMBL6280391 1.00 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL6277897 0.79 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL12287584 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL6285589 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL16216183 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL5354526 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL11951604 0.71 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AHIF1A
SCHEMBL13957533 0.71 ADRA2A (0.53) ADRA2AADRA2BADRA2CALDH1A1LMNA
Oxedrine SCHEMBL2283013 0.70 KDM4E (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
Oxedrine SCHEMBL17726874 0.70 KDM4E (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1

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.