SCHEMBL42141

SCHEMBL42141

CC1(C)OCC(C)(C(=O)O)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.52
MAPK1 P28482 3/20 0.40
KCNA4 P22459 1/20 0.38
KCNA1 Q09470 1/20 0.38
KCNAB1 Q14722 1/20 0.38
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL15522635 0.97 FFAR3 (0.50) FFAR3MAPK1KCNA4KCNA1KCNAB1
SCHEMBL1823909 0.82 FFAR3 (0.46) FFAR3MAPK1CYP2C19SMN1; SMN2NPSR1
SCHEMBL1826703 0.82 FFAR3 (0.46) FFAR3MAPK1CYP2C19SMN1; SMN2NPSR1
SCHEMBL1826359 0.82 FFAR3 (0.46) FFAR3MAPK1CYP2C19SMN1; SMN2NPSR1
SCHEMBL9708741 0.81 FFAR3 (0.38) FFAR3MAPK1KCNA4KCNA1KCNAB1
SCHEMBL1970312 0.80 KCNA4 (0.39) FFAR3KCNA4KCNA1KCNAB1
SCHEMBL353254 0.80
SCHEMBL7258460 0.78 KCNA4 (0.43) FFAR3MAPK1KCNA4KCNA1KCNAB1
SCHEMBL28017602 0.77 FFAR3 (0.35) FFAR3MAPK1KCNA4KCNA1KCNAB1
SCHEMBL16153587 0.76 KCNA4 (0.37) FFAR3KCNA4KCNA1KCNAB1

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 379 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527646-B Self-repairable furan group-containing bio-based unsaturated polyester resin and preparation method and application thereof 四川大学 2022-04-01 CN claimed
CN-113527646-A Self-repairable furan group-containing bio-based unsaturated polyester resin and preparation method and application thereof 四川大学 2021-10-22 CN claimed
CN-113372325-A Temsirolimus intermediate compound III 鲁南制药集团股份有限公司 2021-09-10 CN claimed
CN-113372375-A Preparation method of temsirolimus intermediate 鲁南制药集团股份有限公司 2021-09-10 CN claimed
CN-108948046-B Intermediate of temsirolimus and preparation method thereof 鲁南制药集团股份有限公司 2020-11-10 CN claimed
CN-108997563-A A kind of method of ROMP polymerization preparation based polyalcohol containing POSS 上海应用技术大学 2018-12-14 CN claimed
CN-108948045-A A kind of preparation method of tesirolimus 鲁南制药集团股份有限公司 2018-12-07 CN claimed
US-RE44768-E1 Rapamycin hydroxyesters WYETH LLC (US) 2014-02-18 US claimed
US-8258299-B2 Process for preparation of temsirolimus Chungwa Chemical Synthesis & Biotech Co., Ltd. (TW) 2012-09-04 US claimed
US-20100249415-A1 Process for preparation of temsirolimus CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO., LTD. (TW) 2010-09-30 US claimed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP claimed
EP-1216251-B1 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES WYETH CORP (US) 2003-02-26 EP claimed
EP-1266899-A2 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2002-12-18 EP claimed
EP-1216251-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES Wyeth (US) 2002-06-26 EP claimed
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US claimed
US-6277983-B1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION 2001-08-21 US claimed
WO-2001023395-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-05 WO claimed
EP-0763039-A1 RAPAMYCIN HYDROXYESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-19 EP claimed
WO-1995028406-A1 RAPAMYCIN HYDROXYESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-26 WO claimed
US-5362718-A Rapamycin hydroxyesters AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100249415-A1 Process for preparation of temsirolimus RICTOR, MTOR, MLST8 FFAR3 2588/4885MAPK1 828/4885KCNA4 4251/4885
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives RICTOR, MTOR, RPTOR FFAR3 1979/4885MAPK1 659/4885KCNA4 4514/4885

“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.