SCHEMBL7147950

SCHEMBL7147950

COC(OC)(C(O)Cn1ncc2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.43
KMO O15229 2/20 0.42
CHRM2 P08172 9/20 0.39
CHRM1 P11229 9/20 0.39
CYP1A2 P05177 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7142440 0.73 TSHR (0.50) POLBTSHR
SCHEMBL7620791 0.73 HTT (0.33) KMT2A
SCHEMBL7146592 0.73 CYP1A2 (0.35) RECQLKMOCHRM2CHRM1CYP1A2
SCHEMBL6280461 0.72 RECQL (0.53) RECQLKMOCHRM2CHRM1CYP1A2
SCHEMBL7145599 0.70 KIF11 (0.38)
SCHEMBL8459470 0.69 RAB9A (0.34) CYP1A2POLBRAB9AMEN1KMT2A
SCHEMBL30259947 0.69 RECQL (0.56) RECQLKMOCHRM2CHRM1CYP1A2
SCHEMBL8888398 0.69 RECQL (0.56) RECQLKMOCHRM2CHRM1CYP1A2
SCHEMBL7141152 0.68 RECQL (0.51) RECQLKMOCHRM2CHRM1CYP1A2
SCHEMBL17269342 0.68 NPC1 (0.51) RECQLKMOCHRM2CHRM1CHRM3

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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 RECQL 1801/4885KMO 3745/4885CHRM2 730/4885

“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.