SCHEMBL20008606

SCHEMBL20008606

Nc1ccccc1COCCCCOCc1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
FDPS P14324 1/20 0.35
KCNA3 P22001 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20008258 0.91 CYP3A4 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP3A4
SCHEMBL11307931 0.88 SLC6A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP3A4
SCHEMBL9452735 0.88 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL541805 0.86 ALOX15 (0.45) SMN1; SMN2CYP3A4ALOX15CASP1CASP7
SCHEMBL19675835 0.85 TAAR1 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP3A4
SCHEMBL8662272 0.83 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP3A4
SCHEMBL7428989 0.82 ADRB2 (0.33) ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL18217417 0.82 CYP3A4 (0.41) SMN1; SMN2CYP3A4ALOX15CASP1CASP7
SCHEMBL11721097 0.78 CYP3A4 (0.38) SMN1; SMN2CYP3A4ALOX15CASP1CASP7
SCHEMBL7689047 0.78 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP3A4

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 3 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
EP-3286202-B1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECH LLC (US) 2019-03-13 EP 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 CYP1A2 644/4885CYP2C9 1395/4885CYP2C19 1944/4885
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom WEE2, WEE1, AHR CYP1A2 644/4885CYP2C9 1395/4885CYP2C19 1944/4885

“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.