SCHEMBL9995366

SCHEMBL9995366

CCOCCOc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 3/20 0.48
CYP19A1 P11511 6/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR4 O95977 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.43

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
SCHEMBL1979913 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL29739542 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL5511217 0.85 HTT (0.58) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL27630962 0.85 CYP19A1 (0.55) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL11427652 0.84 HTT (0.56) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL13788938 0.84 MAPT (0.56) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL9638940 0.82 ALDH1A1 (0.56) ALDH1A1TDP1MAPTLMNAKMT2A
SCHEMBL16943506 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL11820701 0.82 ALDH1A1 (0.51) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL9655337 0.82 MAPT (0.53) ALDH1A1TSHRTDP1MAPTLMNA

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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ALDH1A1 1688/4885TSHR 3594/4885TDP1 466/4885

“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.