SCHEMBL12902147

SCHEMBL12902147

C=C(C)COc1ccc(OCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NR5A1 Q13285 1/20 0.53
PLA2G4B P0C869 5/20 0.53
PLA2G4A P47712 1/20 0.49
GPR174 Q9BXC1 1/20 0.49
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10338925 0.87 GPR174 (0.58) GPR174TP53
SCHEMBL21430441 0.82 TAAR1 (0.50) LTA4HGPR174
SCHEMBL6288038 0.81 GPR174 (0.53) LTA4HGPR174GAARAB9ATP53
SCHEMBL5931918 0.81 GPR174 (0.53) GPR174GAARAB9ATP53TSHR
SCHEMBL4661089 0.81 ALDH1A1 (0.51) PLA2G4AGPR174
SCHEMBL12035980 0.80 RAB9A (0.49) GPR174RAB9A
SCHEMBL5033226 0.80 GAA (0.56) LTA4HNR5A1PLA2G4BGAARAB9A
SCHEMBL26850 0.80 LTA4H (0.70) LTA4HNR5A1GAARAB9ATP53
SCHEMBL8161826 0.79 WDR5 (0.57) GPR174GAA
SCHEMBL8388308 0.79 GPR174 (0.51) LTA4HNR5A1GPR174TP53

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-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 LTA4H 1294/4885NR5A1 4572/4885PLA2G4B 4500/4885

“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.