SCHEMBL930302

SCHEMBL930302

CCOC(=O)c1cccc(OCC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
KAT6A Q92794 1/20 0.51
KMT2A Q03164 3/20 0.50
FOS P01100 1/20 0.50
JUN P05412 1/20 0.50
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8703734 0.86 ADRB2 (0.49) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1989713 0.86 KMT2A (0.62) NR1H4TDP1L3MBTL1KMT2AMEN1
SCHEMBL3070514 0.86 TDP1 (0.51) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL26049008 0.85 NR1H4 (0.60) NR1H4KAT6AKMT2AFOSJUN
SCHEMBL5164967 0.84 ALDH1A1 (0.54) ADRB2ADRB1ADRB3KMT2ANPC1
SCHEMBL27695125 0.84 ADRB2 (0.47) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL18685480 0.83 TDP1 (0.49) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL20830740 0.83 MAOB (0.57) NR1H4TDP1KAT6AKMT2AFOS
SCHEMBL931171 0.83 MEN1 (0.52) TDP1L3MBTL1KMT2AMEN1POLB
SCHEMBL16108766 0.83 NR1H4 (0.60) NR1H4KAT6AKMT2AFOSJUN

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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC. (US) 2012-07-19 US disclosed
EP-2448944-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS Senomyx, Inc. (US) 2012-05-09 EP disclosed
WO-2011002871-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC (US) 2011-01-06 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-20120183660-A1 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS TAS2R41, TAS2R42, TAS2R40 NR1H4 1908/4885TDP1 3692/4885L3MBTL1 3691/4885

“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.