SCHEMBL64221

SCHEMBL64221

CC(=O)OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.42
PTGS2 P35354 1/20 0.41
RAD52 P43351 1/20 0.40
SLC18A3 Q16572 2/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
Bromide SCHEMBL29016324 0.98 ALDH1A1 (0.49) ALDH1A1TDP1PTGS2RAD52SLC18A3
SCHEMBL887521 0.95 ALDH1A1 (0.49) ALDH1A1TDP1PTGS2RAD52SLC18A3
SCHEMBL3794162 0.93 ALDH1A1 (0.47) ALDH1A1TDP1PTGS2RAD52SLC18A3
SCHEMBL27649890 0.89 ALDH1A1 (0.48) ALDH1A1TDP1PTGS2RAD52SLC18A3
SCHEMBL13766083 0.80 TDP1 (0.55) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL25490098 0.79 TDP1 (0.45) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL7590667 0.78 ALDH1A1 (0.52) ALDH1A1TDP1PTGS2SLC18A3TSHR
SCHEMBL27813818 0.77 LMNA (0.54) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL15132441 0.77 ALDH1A1 (0.47) ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL18570037 0.76 MAPK1 (0.40) ALDH1A1TDP1TSHRL3MBTL1MAPK1

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
CN-115466232-B Preparation method of (6Z, 9Z) -3, 4-epoxy nineteen-carbon diene 山西农业大学 2023-06-20 CN disclosed
CN-115466232-A Preparation method of (6Z, 9Z) -3, 4-epoxy nonadecadiene 山西农业大学 2022-12-13 CN disclosed
US-8129552-B2 for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-06 US disclosed
US-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSHAFTEN E.V. (DE) 2008-09-04 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-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS PHOSPHO1, PLTP, SGMS1 ALDH1A1 4394/4885TDP1 2874/4885PTGS2 804/4885

“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.