SCHEMBL4907724

SCHEMBL4907724

FC=CCC(Br)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
TRPA1 O75762 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
TAAR1 Q96RJ0 2/20 0.33
CYP2C19 P33261 1/20 0.32
HRH1 P35367 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
GRM7 Q14831 1/20 0.31
DPP4 P27487 2/20 0.31
F2 P00734 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL7200468 0.79 TAAR1 (0.36) HTR2ACES2CES1TRPA1SLC6A2
SCHEMBL5973390 0.78 HTR2A (0.53) HTR2ASLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL2373419 0.75 LMNA (0.48) RAB9ATSHR
SCHEMBL4076131 0.74 CYP2C19 (0.52) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL17763415 0.74 CES2 (0.41) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL10884757 0.70 CES2 (0.41) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL19317396 0.69 CES2 (0.44) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL22042211 0.69 HRH1 (0.46) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL4892666 0.67 CES2 (0.42) HTR2ACES2CES1TRPA1TAAR1
SCHEMBL331173 0.67 TRPA1 (0.42) HTR2ACES2CES1TRPA1TAAR1

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-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP 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-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 HTR2A 2352/4885CES2 2075/4885CES1 3690/4885

“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.