SCHEMBL3096606

SCHEMBL3096606

O=C(NC1CCCCC1OCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 16/20 0.51
AXL P30530 12/20 0.51
MET P08581 2/20 0.50
TYRO3 Q06418 2/20 0.50
PKM P14618 1/20 0.47
PRKCB P05771 2/20 0.46
PRKCA P17252 2/20 0.46
PRKCE Q02156 2/20 0.46
PRKCG P05129 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCD Q05655 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL13156526 1.00 MERTK (0.51) MERTKAXLMETTYRO3PKM
SCHEMBL3103839 0.90 NPC1 (0.56) MERTKAXLMETTYRO3PRKCB
SCHEMBL13156495 0.90 NPC1 (0.56) MERTKAXLMETTYRO3PRKCB
SCHEMBL13181726 0.80 L3MBTL1 (0.44) ALOX5
SCHEMBL13156516 0.79 L3MBTL1 (0.50) ALOX5
SCHEMBL3101236 0.79 L3MBTL1 (0.50) ALOX5
SCHEMBL31291527 0.79 L3MBTL1 (0.56) ALOX5
SCHEMBL7864070 0.78 CXCR1 (0.52) PKM
SCHEMBL7864067 0.78 CXCR1 (0.52) PKM
SCHEMBL27701237 0.78 KCNA5 (0.53) MERTKAXLMETTYRO3

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-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 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-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A MERTK 4372/4885AXL 3222/4885MET 3119/4885

“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.