SCHEMBL22481284

SCHEMBL22481284

C=C(/C=C\c1ccc(F)cc1C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
NFE2L2 Q16236 3/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX5 P09917 1/20 0.33
TDO2 P48775 1/20 0.31
PGR P06401 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL1970937 0.75 TDO2 (0.54) PTGS1PTGS2CYP1A1CYP1B1TDO2
SCHEMBL30560928 0.75 TDO2 (0.54) PTGS1PTGS2CYP1A1CYP1B1TDO2
SCHEMBL1970938 0.75 TDO2 (0.54) PTGS1PTGS2CYP1A1CYP1B1TDO2
SCHEMBL30560978 0.73 PELI1 (0.42) PTGS1PTGS2CYP1A1CYP1B1HTR2A
SCHEMBL2097319 0.73 PTGS2 (0.42) PTGS1PTGS2NFE2L2HTR2AHTR2C
SCHEMBL20125001 0.73 PTGS1 (0.46) PTGS1PTGS2NFE2L2CYP1A1CYP1B1
SCHEMBL2097320 0.73 PTGS2 (0.42) PTGS1PTGS2NFE2L2HTR2AHTR2C
SCHEMBL13678718 0.71 PTGS1 (0.43) PTGS1PTGS2NFE2L2HTR2AHTR2C
SCHEMBL18906997 0.71 PTGS1 (0.43) PTGS1PTGS2NFE2L2HTR2AHTR2C
SCHEMBL18322085 0.71 ALDH1A1 (0.50) KDM4EMEN1MAPTHTTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2020-10-01 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-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C PTGS1 1368/4885PTGS2 1308/4885NFE2L2 2589/4885

“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.