SCHEMBL7144397

SCHEMBL7144397

COC(CCC(O)Cc1ncc[nH]1)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.37
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
GAA P10253 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRB1 P08588 1/20 0.31

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
SCHEMBL7144865 0.78 TAAR1 (0.40) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL7143221 0.75 TAAR1 (0.38) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL7140649 0.74 TAAR1 (0.33) TAAR1
SCHEMBL9115484 0.67 TAAR1 (0.37) TAAR1CYP2D6HTR1A
SCHEMBL6582380 0.66 CA1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL27574291 0.66 CA1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL6579732 0.66 CA1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL11188268 0.66 TXN (0.42) TAAR1HTR1A
SCHEMBL10775045 0.66 ADA (0.36) TAAR1CYP2D6HTR1A
SCHEMBL6299922 0.65 TAAR1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA

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 TAAR1 4588/4885CYP2D6 4159/4885TSHR 4488/4885

“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.