Fluorobenzene

Fluorobenzene

SCHEMBL5765024

Fc1ccccc1.O=C(O)CCCl

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
NR4A2 P43354 1/20 0.43
FFAR1 O14842 3/20 0.42
MAPK1 P28482 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
FABP3 P05413 1/20 0.41

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
Succinic Acid SCHEMBL28116804 0.84 NR4A2 (0.54) KEAP1NR4A2FFAR1MAPK1HDAC3
Fluorobenzene SCHEMBL27954093 0.83 HDAC3 (0.56) KEAP1NR4A2FFAR1MAPK1HDAC3
R-Chloropropionate SCHEMBL10922210 0.81 LMNA (0.50) KEAP1NR4A2FFAR1MAPK1HDAC3
Phenol SCHEMBL28036694 0.80 CA2 (0.50) KEAP1NR4A2FFAR1MAPK1HDAC3
R-Chloropropionate SCHEMBL9049894 0.77 CYP3A4 (0.50) KEAP1NR4A2FFAR1MAPK1HDAC3
R-Chloropropionate SCHEMBL27926601 0.77 FFAR1 (0.50) KEAP1NR4A2FFAR1MAPK1HDAC3
Fluorobenzene SCHEMBL27579731 0.77 AKR1B1 (0.44) KEAP1NR4A2FFAR1ALDH1A1
Fluorobenzene SCHEMBL28280264 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
Fluorobenzene SCHEMBL9441778 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
Fluorobenzene SCHEMBL27550803 0.76 ALDH1A1 (0.46) MAPK1SMN1; SMN2HTTALDH1A1MAPT

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
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 KEAP1 3970/4885NR4A2 1360/4885FFAR1 2080/4885

“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.