SCHEMBL6101638

SCHEMBL6101638

CC(C)(C)OC(=O)Nc1cccc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
TRPV1 Q8NER1 8/20 0.50
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL487254 0.89 TRPV1 (0.64) NQO2TRPV1MEN1KMT2ARAB9A
SCHEMBL31680675 0.89 TRPV1 (0.64) NQO2TRPV1MEN1KMT2ARAB9A
SCHEMBL7714831 0.86 RXFP1 (0.46) NQO2TRPV1POLBRXFP1MEN1
SCHEMBL30077817 0.85 RXFP1 (0.46) NQO2TRPV1POLBRXFP1MEN1
SCHEMBL27453735 0.85 RXFP1 (0.46) NQO2TRPV1POLBRXFP1MEN1
SCHEMBL3729968 0.85 ALDH1A1 (0.45) NQO2TRPV1RXFP1GAAALDH1A1
SCHEMBL2396852 0.84 ALDH1A1 (0.63) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL14059000 0.82 CASP6 (0.68) NQO2RXFP1MEN1KMT2AGAA
SCHEMBL421016 0.80 MAPK14 (0.47) TRPV1POLBRXFP1MEN1KMT2A
SCHEMBL12199919 0.80 NQO2 (0.44) NQO2TRPV1POLBRXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
CN-102414175-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2012-04-11 CN disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 (2 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR NQO2 186/4885TRPV1 115/4885POLB 4780/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 NQO2 326/4885TRPV1 4489/4885POLB 373/4885

“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.