SCHEMBL5532753

SCHEMBL5532753

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.48
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 2/20 0.33
PMP22 Q01453 2/20 0.33
LMNA P02545 2/20 0.33
MTOR P42345 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 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
Butane SCHEMBL15795939 0.91 APLNR (0.41) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL15804441 0.82 APLNR (0.33) APLNRCYP2C19MAPK1PMP22LMNA
SCHEMBL21434917 0.78 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL19550863 0.78 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL21434918 0.78 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL26535538 0.78 APLNR (0.31) APLNRHCRTR2HCRTR1MAPT
SCHEMBL4184435 0.78 GAA (0.35) APLNRALOX15KDM4EPMP22LMNA
SCHEMBL25215367 0.78 SMN1; SMN2 (0.38) APLNRALDH1A1SMN1; SMN2
SCHEMBL30237791 0.76 CHRNB2 (0.34) APLNRCYP2C19KDM4EMAPK1PMP22
SCHEMBL32677648 0.76 SLC1A2 (0.36) APLNRCYP2C19KDM4EMAPK1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44768-E1 Rapamycin hydroxyesters WYETH LLC (US) 2014-02-18 US claimed
EP-1760083-A1 Rapamycin hydroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2007-03-07 EP claimed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP claimed
EP-1266899-A2 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2002-12-18 EP 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
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND ST. MARIANNA UNIVERSITY SCHOOL OF MEDICINE (JP) 2023-10-12 US disclosed
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND ST. MARIANNA UNIVERSITY SCHOOL OF MEDICINE (JP) 2023-10-12 US disclosed
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
CN-103992222-B Acrylic monomer, polymer, and resist composition containing the polymer 锦湖石油化学株式会社 2016-08-24 CN disclosed
EP-1760083-A1 Rapamycin hydroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2007-03-07 EP disclosed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP disclosed
EP-1266899-A2 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2002-12-18 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 (5 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 APLNR 3591/4885CYP2C19 999/4885CYP1A2 2284/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885CYP2C19 999/4885CYP1A2 2284/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 APLNR 3591/4885CYP2C19 999/4885CYP1A2 2284/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885CYP2C19 999/4885CYP1A2 2284/4885
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND RXFP1, AVPR2, RXFP3 APLNR 1684/4885CYP2C19 2707/4885CYP1A2 2180/4885

“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.