SCHEMBL18177331

SCHEMBL18177331

O=C(O)COc1cccc(/C=C/[N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 12/20 0.67
TLR2 O60603 12/20 0.67
MAOA P21397 8/20 0.67
MAOB P27338 8/20 0.67
FBP1 P09467 3/20 0.61

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
SCHEMBL4619911 0.81 TLR4 (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL4619916 0.81 TLR4 (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL510222 0.81 MAOA (1.00) TLR4TLR2MAOAMAOB
SCHEMBL510223 0.81 MAOA (1.00) TLR4TLR2MAOAMAOB
SCHEMBL510208 0.79 TLR4 (1.00) TLR4TLR2MAOAMAOBFBP1
SCHEMBL510207 0.79 TLR4 (1.00) TLR4TLR2MAOAMAOBFBP1
SCHEMBL4683688 0.78 CCNB2 (0.65) MAOAMAOB
SCHEMBL3175679 0.78 LMNA (0.54)
SCHEMBL3175689 0.78 LMNA (0.54)
SCHEMBL4683690 0.78 CCNB2 (0.65) MAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD TLR4 4614/4885TLR2 4703/4885MAOA 2348/4885

“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.