SCHEMBL6572340

SCHEMBL6572340

CC1(c2ccccc2)O[C@@H](O)[C@H](O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SIRT1 Q96EB6 2/20 0.38
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HTT P42858 1/20 0.34
MMP2 P08253 1/20 0.33

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
SCHEMBL10590098 1.00 CYP3A4 (0.39) CYP3A4MAPK1SIRT1CHRNB2SLC6A2
SCHEMBL998716 0.74 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5335969 0.74 CHRNB2 (0.39) CYP3A4MAPK1CHRNB2SLC6A2CHRNB4
SCHEMBL8007579 0.74 MAPK1 (0.70) CYP3A4MAPK1SIRT1CHRNB2SLC6A2
SCHEMBL8538968 0.74 MAPK1 (0.70) CYP3A4MAPK1SIRT1CHRNB2SLC6A2
SCHEMBL8538845 0.74 MAPK1 (0.70) CYP3A4MAPK1SIRT1CHRNB2SLC6A2
SCHEMBL1730477 0.72 ALDH1A1 (0.41) SIRT1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL14572621 0.72 SIRT1 (0.42) SIRT1SLC6A2ALDH1A1LMNAGAA
SCHEMBL10794880 0.71 ALDH1A1 (0.55) CYP3A4MAPK1ALDH1A1LMNAGAA
SCHEMBL2748786 0.71 ALDH1A1 (0.55) CYP3A4MAPK1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073045-A1 Pyrrolidine derivative and process for producing the same EISAI CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375479-A9 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375465-A1 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-0098456-B1 PEPTIDES COMPRISING A (1S,2R,3R)- OR (1R,2S,3S)-1-NITRILO-1-CARBONYL-3-METHYL-2-OXY-HEPTANE OR -HEPT-5-ENE RESIDUE USEFUL IN THE TOTAL SYNTHESIS OF CYCLOSPORINS, AND PROCESSES FOR THEIR PRODUCTION SANDOZ AG (CH) 1989-05-24 EP disclosed
EP-0098457-B1 (1S,2R,3R)- AND (1R,2S,3S)-NITRILO-1-CARBONYL-3-METHYL-2-OXY-HEPTANES AND -HEPT-5-ENES USEFUL IN THE TOTAL SYNTHESIS OF CYCLOSPORINS AND PROCESSES FOR THEIR PRODUCTION SANDOZ AG (CH) 1987-08-05 EP disclosed
US-4554351-A STEREOISOMERS SANDOZ LTD. (CH) 1985-11-19 US disclosed
EP-0034567-B1 A METHOD FOR THE TOTAL SYNTHESIS OF CYCLOSPORINS AND NOVEL CYCLOSPORINS SANDOZ AG (CH) 1984-11-07 EP disclosed
US-4396542-A Method for the total synthesis of cyclosporins, novel cyclosporins and novel intermediates and methods for their production SANDOZ LTD. (CH) 1983-08-02 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-20040073045-A1 Pyrrolidine derivative and process for producing the same DHPS, SQLE, FDFT1 CYP3A4 1799/4885MAPK1 2692/4885SIRT1 752/4885

“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.