SCHEMBL16976445

SCHEMBL16976445

CCCCOC1=C(OCCCC)C(CCOc2ccccc2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL16976423 0.80 HPSE (0.39) TP53TSHR
SCHEMBL16950232 0.80 TAAR1 (0.43) HTR1ASLC6A2SLC6A3LMNAHIF1A
SCHEMBL17070379 0.78 ALDH1A1 (0.45) MAPK1ALDH1A1CYP3A4TP53TSHR
SCHEMBL7987827 0.78 LTA4H (0.41) LTA4HSLC6A2SLC6A3LMNAHIF1A
SCHEMBL36192 0.73 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL1331014 0.73 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
Benzene SCHEMBL28132981 0.73 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL17068348 0.72 TAAR1 (0.41) HTR1ALMNASMN1; SMN2L3MBTL1
Formaldehyde SCHEMBL27461756 0.72 LTA4H (0.77) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL28386097 0.72 LTA4H (0.83) LTA4HMLNRNR1I2ESR1NR3C1

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-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT NIPPON SODA CO., LTD. (JP) 2015-09-10 US disclosed
EP-2902387-A1 ASCORBIC ACID-RELATED COMPOUND AND ANTI-PLANT-VIRUS AGENT Nippon Soda Co., Ltd. (JP) 2015-08-05 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-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT CBR3, OSR1, OXSR1 LTA4H 3920/4885MLNR 3806/4885NR1I2 485/4885

“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.