SCHEMBL12883191

SCHEMBL12883191

CCC(=O)c1nc(OC)cc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HMGCR P04035 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSA P10619 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28984317 0.80 KDM4E (0.60) CYP1A2ALDH1A1KDM4EADORA3ADORA1
SCHEMBL3400524 0.79 ALDH1A1 (0.51) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10181023 0.79 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27884234 0.78 MTNR1A (0.43) SMN1; SMN2HMGCRTDP1POLBMAPT
SCHEMBL577793 0.77 ALDH1A1 (0.52) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5092353 0.77 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3405403 0.77 KDM4E (0.55) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL12883030 0.75 MAPT (0.50) CYP1A2ALDH1A1KDM4EADORA3ADORA1
SCHEMBL577637 0.75 POLB (0.53) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL984078 0.75 CYP1A2 (0.50) CYP1A2ALDH1A1KDM4ELMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 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-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 CYP1A2 2666/4885ALDH1A1 1220/4885KDM4E 903/4885

“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.