SCHEMBL17068348

SCHEMBL17068348

CC1=C(OCc2ccccc2)C(CCOc2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
HPSE Q9Y251 1/20 0.41
GRM2 Q14416 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 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
SCHEMBL16950232 0.86 TAAR1 (0.43) TAAR1HPSEGRM2L3MBTL1HTR1A
SCHEMBL17068324 0.84 HPSE (0.47) HPSEGRM2L3MBTL1LMNAGAA
SCHEMBL7987827 0.82 LTA4H (0.41) TAAR1HPSEGRM2LMNAGSTP1
SCHEMBL17068323 0.79 HPSE (0.57) HPSEL3MBTL1LMNA
SCHEMBL7987830 0.75 HTR1A (0.41) HPSEL3MBTL1HTR1AADRA1DADRA1A
SCHEMBL16976445 0.72 LTA4H (0.51) L3MBTL1SMN1; SMN2HTR1ALMNA
SCHEMBL17068325 0.68 HPSE (0.43) HPSEL3MBTL1LMNAGAAMAOB
SCHEMBL9808056 0.67 LMNA (0.72) RAB9AL3MBTL1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL17162776 0.67 GSTP1 (0.51) GRM2NPC1RAB9AL3MBTL1PKM
Benzylphenylether SCHEMBL61660 0.65 LMNA (0.74) RAB9AL3MBTL1SMN1; SMN2LMNAGAA

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-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT NIPPON SODA CO., LTD. (JP) 2015-09-10 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-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT CBR3, OSR1, OXSR1 TAAR1 1364/4885HPSE 4063/4885GRM2 1097/4885

“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.