SCHEMBL4305063

SCHEMBL4305063

CC(C)(C)c1cc2ccccc2nc1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
GAA P10253 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN7 P35236 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 1/20 0.40
CD69 Q07108 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK14 Q16539 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL4308611 0.83 PTGDR2 (0.42) KDM4EPTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL6629949 0.80 KDM4E (0.51) ALDH1A1KDM4EGAAPTGDR2MEN1
SCHEMBL15889293 0.76 TLR8 (0.46) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL9161697 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL13912950 0.71 KDM4E (0.38) ALDH1A1KDM4EPTGDR2MEN1KMT2A
SCHEMBL4308934 0.70 HPGDS (0.44) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL13912924 0.69 SMN1; SMN2 (0.38) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5000594 0.69 NPSR1 (0.67) ALDH1A1KDM4EGAAPTGDR2SMN1; SMN2
SCHEMBL14273081 0.69 PTPN7 (0.63) KDM4EMEN1KMT2APTPN7SMN1; SMN2
SCHEMBL152565 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A

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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 ALDH1A1 1707/4885KDM4E 1800/4885GAA 2640/4885

“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.