SCHEMBL3404609

SCHEMBL3404609

CCC(=O)Nc1ccc(OC)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
HTT P42858 3/20 0.68
ALDH1A1 P00352 6/20 0.67
MAPT P10636 3/20 0.64
ESRRA P11474 1/20 0.64
TSHR P16473 2/20 0.63
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.62
TP53 P04637 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL2008813 0.90 ALDH1A1 (0.70) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL14886137 0.88 MAPT (0.67) HTTALDH1A1MAPTESRRAKMT2A
SCHEMBL9731379 0.88 CYP3A4 (0.69) CYP3A4HTTALDH1A1ESRRATSHR
SCHEMBL5860120 0.88 ALDH1A1 (0.67) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL30475554 0.88 ALDH1A1 (0.67) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL24498947 0.86 ALDH1A1 (0.65) HTTALDH1A1MAPTTSHRKMT2A
Hydrochloric Acid SCHEMBL21296582 0.86 ALDH1A1 (0.65) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL14492204 0.86 ALDH1A1 (0.65) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL7934936 0.86 ALDH1A1 (0.65) HTTALDH1A1MAPTTSHRKMT2A
SCHEMBL19721203 0.85 ALDH1A1 (0.71) HTTALDH1A1MAPTTSHRKMT2A

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
US-20130101684-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste CHROMOCELL CORPORATION (US) 2013-04-25 US disclosed
WO-2011130707-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2012-01-05 WO disclosed
WO-2011130707-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2011-10-20 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 (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-20130101684-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste TAS2R5, TAS2R20, TAS2R10 CYP3A4 3973/4885HTT 381/4885ALDH1A1 1771/4885

“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.