SCHEMBL17817064

SCHEMBL17817064

CCCCCCCCCCCCCCCCCCOc1c(C)cccc1Oc1c([N+](=O)[O-])ccc(O)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLA2G4B P0C869 1/20 0.39
KMT2A Q03164 3/20 0.39
ESR1 P03372 3/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9699807 0.80 ESR1 (0.48) L3MBTL1THRATHRBPLA2G4BKMT2A
SCHEMBL17817616 0.79 ESR1 (0.47) L3MBTL1THRATHRBPLA2G4BKMT2A
SCHEMBL17817065 0.76 ESR1 (0.50) L3MBTL1THRATHRBPLA2G4BKMT2A
SCHEMBL17817619 0.74 ALDH1A1 (0.50) THRATHRBKMT2AESR1MAPT
SCHEMBL27492928 0.74 ALDH1A1 (0.50) THRATHRBKMT2AESR1MAPT
Nitrophenolate SCHEMBL15923356 0.73 NPC1 (0.60) L3MBTL1THRATHRBKMT2AMAPT
SCHEMBL8974666 0.72 MCHR1 (0.48) KMT2AESR1MAPTLMNANPSR1
SCHEMBL11331788 0.72 MCHR1 (0.48) KMT2AESR1MAPTLMNANPSR1
SCHEMBL11763892 0.72 MAPT (0.44) THRATHRBPLA2G4BKMT2AESR1
SCHEMBL1123538 0.71 NPC1 (0.72) L3MBTL1THRATHRBKMT2AMAPT

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 L3MBTL1 3605/4885THRA 2233/4885THRB 3055/4885

“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.