SCHEMBL3901434

SCHEMBL3901434

O=C(O)CCCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
ALOX5 P09917 2/20 0.43
LMNA P02545 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
TSHR P16473 3/20 0.39
PMP22 Q01453 2/20 0.39
NFKB1 P19838 1/20 0.39
EPHX2 P34913 4/20 0.38
CAMK2A Q9UQM7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER2 P43116 1/20 0.35
TBXAS1 P24557 3/20 0.35
THRB P10828 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL3902542 0.94 HSD11B1 (0.55) HSD11B1ALOX5LMNASLC22A6TSHR
SCHEMBL10761559 0.92 HSD11B1 (0.53) HSD11B1ALOX5LMNATSHRPMP22
SCHEMBL10757417 0.92 HSD11B1 (0.53) HSD11B1ALOX5LMNATSHRPMP22
SCHEMBL11030817 0.92 HSD11B1 (0.53) HSD11B1ALOX5LMNATSHRPMP22
SCHEMBL10756960 0.92 HSD11B1 (0.53) HSD11B1ALOX5LMNATSHRPMP22
SCHEMBL6159955 0.87 HSD11B1 (0.61) HSD11B1ALOX5LMNASLC22A6EPHX2
SCHEMBL2093413 0.83 HSD11B1 (0.47) HSD11B1TSHREPHX2L3MBTL1KMT2A
SCHEMBL1787432 0.73 HSD11B1 (1.00) HSD11B1EPHX2L3MBTL1SLC6A12SLC6A11
SCHEMBL10759084 0.72 HSD11B1 (0.44) HSD11B1EPHX2TBXA2RPTGFRPTGER2
SCHEMBL10936787 0.71 EPHX2 (0.48) HSD11B1LMNATSHREPHX2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426545-A Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-17 US claimed
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
EP-0119359-B1 ADAMANTYL CARBOXYLIC AND SULFONIC ACID CATALYZED PARAFFIN-OLEFIN ALKYLATION AND PARAFFIN ISOMERIZATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-06-10 EP disclosed
EP-0119359-A1 Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation and paraffin isomerization EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-09-26 EP disclosed
US-4426545-A Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-17 US disclosed
US-4424387-A STRONG ACID, BRANCHING EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-03 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-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG HSD11B1 828/4885ALOX5 37/4885LMNA 2709/4885

“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.