SCHEMBL5565860

SCHEMBL5565860

[CH](CCOCCN1CCOCC1)CCOCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL111438 0.87 TSHR (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL7106263 0.85 TSHR (0.61) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL18024012 0.82 TSHR (0.50) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL526235 0.80 TSHR (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL20465874 0.79 TSHR (0.49) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL8362022 0.79 TSHR (0.51) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL6408637 0.79 KEAP1 (0.58) SMN1; SMN2KEAP1ALDH1A1KDM4EMAPK1
SCHEMBL5293921 0.79 KEAP1 (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL10282973 0.78 TSHR (0.44) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL646005 0.78 KDM4E (0.50) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E

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-7268230-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents ASTRAZENECA AB (SE) 2005-04-21 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-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents VEGFA, FLT4, FLT1 TSHR 3783/4885SMN1; SMN2 4419/4885KEAP1 1982/4885

“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.