SCHEMBL4883926

SCHEMBL4883926

CC(C)CCCC=O.ClOCl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.35
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL231303 0.90
Propane SCHEMBL1390068 0.85 TSHR (0.50) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL1409410 0.82
SCHEMBL28922962 0.81 LMNA (0.59) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL585190 0.81 LMNA (0.59) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL294142 0.80 TSHR (0.52) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL15327039 0.80 TSHR (0.52) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL293702 0.80 TSHR (0.52) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL2523320 0.80 TSHR (0.52) HIF1ATSHRLMNAFAAHTRPV1
SCHEMBL21619221 0.80 TSHR (0.52) HIF1ATSHRLMNAFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132689-A1 Complexing using an ortho carboxy acetal; biodrug delivery ROCHE MADISON INC 2008-06-05 US disclosed
US-7348453-B2 Labile linkage for compound delivery to a cell MIRUS BIO CORPORATION (US) 2008-03-25 US disclosed
WO-2005026253-A2 LABILE LINKAGE FOR COMPOUND DELIVERY TO A CELL MIRUS BIO CORPORATION (US) 2005-03-24 WO disclosed
US-20050054604-A1 Labile linkage for compound delivery to a cell ROCHE MADISON INC. 2005-03-10 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 (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-20050054604-A1 Labile linkage for compound delivery to a cell AADAC, PAICS, FURIN HIF1A 1863/4885TSHR 4180/4885LMNA 1044/4885
US-20080132689-A1 Complexing using an ortho carboxy acetal; biodrug delivery CEL, PAICS, OGA HIF1A 2647/4885TSHR 3816/4885LMNA 3532/4885

“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.