SCHEMBL2160806

SCHEMBL2160806

COc1ccc(C(OC)OC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NQO2 P16083 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8859133 0.83 PPARG (0.52) ACHEMAPTCYP3A4PPARGPPARD
SCHEMBL12062531 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL11244312 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ACHECYP3A4
SCHEMBL13304652 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL801219 0.81 HDAC4 (0.48) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL6846328 0.80 ALDH1A1 (0.37) MAPTTAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL13413339 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL5592068 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL31135381 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL4774742 0.78 ALDH1A1 (0.47) MAPTCYP2D6ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524893-B2 Process for the preparation of temsirolimus and its intermediates FRESENIUS KABI ONCOLOGY LIMITED (IN) 2013-09-03 US disclosed
US-8524893-B2 Process for the preparation of temsirolimus and its intermediates FRESENIUS KABI ONCOLOGY LIMITED (IN) 2013-09-03 US disclosed
EP-2528906-A2 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES Fresenius Kabi Oncology Ltd (IN) 2012-12-05 EP disclosed
WO-2011092564-A2 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2011-08-04 WO disclosed
WO-2011092564-A2 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2011-08-04 WO disclosed
US-20110184167-A1 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LIMITED (IN) 2011-07-28 US disclosed
US-20110184167-A1 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LIMITED (IN) 2011-07-28 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-20110184167-A1 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES RICTOR, MTOR, MAPKAP1 SLC6A2 4767/4885SLC6A4 4732/4885SLC6A3 4816/4885

“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.