SCHEMBL16950232

SCHEMBL16950232

O=C1OC(CCOc2ccccc2)C(OCc2ccccc2)=C1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HPSE Q9Y251 1/20 0.42
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GSTP1 P09211 1/20 0.39
MGLL Q99685 1/20 0.39
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PPARG P37231 1/20 0.38
RIN1 Q13671 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
GRM2 Q14416 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7987827 0.95 LTA4H (0.41) TAAR1HPSEGSTP1MGLLPPARG
SCHEMBL7987830 0.87 HTR1A (0.41) HPSEHTR1AADRA1DADRA1AADRA1B
SCHEMBL17068348 0.86 TAAR1 (0.41) TAAR1HPSEHTR1AADRA1DADRA1A
SCHEMBL7973244 0.83 HPSE (0.49) HPSEGSTP1NSD2ABL1PPARG
SCHEMBL16976445 0.80 LTA4H (0.51) HTR1AL3MBTL1LMNACYP1A2SLC6A2
SCHEMBL16950169 0.78 HPSE (0.59) HPSEL3MBTL1LMNA
SCHEMBL7985703 0.74 HPSE (0.44) HPSENSD2ABL1PPARGRIN1
SCHEMBL22494053 0.70 HPSE (0.39) HPSEGSTP1NSD2ABL1PPARG
SCHEMBL14372169 0.70 HPSE (0.39) HPSEGSTP1NSD2ABL1PPARG
SCHEMBL17068324 0.69 HPSE (0.47) HPSEGSTP1L3MBTL1GRM2LMNA

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 TAAR1 1364/4885HPSE 4063/4885HTR1A 3426/4885

“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.