SCHEMBL9507212

SCHEMBL9507212

Cc1c(OCC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL13990505 0.85 RAB9A (0.66) TDP1SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL9505481 0.84 TDP1 (0.50) TDP1SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL1141627 0.82 TDP1 (0.60) TDP1SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL30072726 0.82 TDP1 (0.60) TDP1SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL9508095 0.81 TDP1 (0.47) TDP1SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL1616773 0.81 TDP1 (0.58) TDP1SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL12194453 0.81 ALDH1A1 (0.46) TDP1SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL12218680 0.80 TDP1 (0.54) TDP1TSHRALDH1A1HTTKMT2A
SCHEMBL2416326 0.80 ALDH1A1 (0.45) TDP1SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL13981471 0.80 NPC1 (0.50) TDP1SMN1; SMN2TSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
US-20170327479-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS SENOMYX, INC. 2017-11-16 US disclosed
US-9732052-B2 Processes and intermediates for making sweet taste enhancers SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20160289200-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS SENOMYX, INC. 2016-10-06 US disclosed
US-9382196-B2 Processes and intermediates for making sweet taste enhancers SENOMYX, INC. (US) 2016-07-05 US disclosed
US-20140107370-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS SENOMYX, INC. (US) 2014-04-17 US disclosed
US-8586733-B2 Processes and intermediates for making sweet taste enhancers SENOMYX, INC. (US) 2013-11-19 US disclosed
US-20110245494-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS SENOMYX, INC. (US) 2011-10-06 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 (4 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-20140107370-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS TAS2R50, TAS2R30, TAS2R10 TDP1 3064/4885SMN1; SMN2 2022/4885TSHR 1708/4885
US-20170327479-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS TAS2R50, TAS2R30, TAS2R10 TDP1 3064/4885SMN1; SMN2 2022/4885TSHR 1708/4885
US-20160289200-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS TAS2R50, TAS2R30, TAS2R10 TDP1 3064/4885SMN1; SMN2 2022/4885TSHR 1708/4885
US-20110245494-A1 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS TAS2R50, TAS2R30, TAS2R10 TDP1 3064/4885SMN1; SMN2 2022/4885TSHR 1708/4885

“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.