SCHEMBL20008258

SCHEMBL20008258

Nc1ccccc1COCCOCc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FDPS P14324 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 10/20 0.35
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 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
SCHEMBL20008606 0.91 CYP1A2 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL541805 0.90 ALOX15 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL19675835 0.89 TAAR1 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL8662272 0.87 CYP1A2 (0.44) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL18217417 0.86 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11307931 0.84 SLC6A2 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9452735 0.84 CYP1A2 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7689047 0.82 ALDH1A1 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11721097 0.82 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL13970655 0.82 FDPS (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2019-04-09 US disclosed
US-20180086685-A1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2018-03-29 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-20180086685-A1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM WEE2, WEE1, AHR CYP3A4 479/4885ALOX15 2509/4885CASP1 3928/4885
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom WEE2, WEE1, AHR CYP3A4 479/4885ALOX15 2509/4885CASP1 3928/4885

“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.