SCHEMBL8444773

SCHEMBL8444773

CC(=O)OC[C@H]1CCCC[C@H]1COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NLRP3 Q96P20 2/20 0.37
HMGCR P04035 1/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 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
SCHEMBL8444777 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NLRP3HMGCR
SCHEMBL2997498 0.98 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10NLRP3HMGCR
SCHEMBL8674650 0.98 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10NLRP3HMGCR
SCHEMBL8674653 0.98 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10NLRP3HMGCR
SCHEMBL8675010 0.95 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NLRP3CHRM1
SCHEMBL24912279 0.90 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3CHRM1
SCHEMBL17550206 0.90 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3CHRM1
SCHEMBL15615426 0.87 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NLRP3CHRM1
SCHEMBL16470991 0.87 EPHX1 (0.36) ALDH1A1LMNAHSD17B10NLRP3CYP3A4
SCHEMBL9680319 0.87 CHRM1 (0.32) ALDH1A1LMNAHSD17B10NLRP3HMGCR

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-20230136594-A1 TRICYCLIC P2-LIGAND CONTAINING POTENT HIV-PROTEASE INHIBITORS PURDUE RESEARCH FOUNDATION 2023-05-04 US disclosed
US-5859054-A Leukotriene B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
EP-0741687-B1 LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AG (DE) 1998-08-12 EP disclosed
US-5783602-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0741686-B1 NEW LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AG (DE) 1998-04-22 EP disclosed
EP-0741686-A1 NEW LEUKOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
WO-1995020563-A1 NEW LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-03 WO 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-20230136594-A1 TRICYCLIC P2-LIGAND CONTAINING POTENT HIV-PROTEASE INHIBITORS CD4, P2RY1, P2RX7 ALDH1A1 2720/4885LMNA 2969/4885HSD17B10 2876/4885

“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.