SCHEMBL22222496

SCHEMBL22222496

Cc1cc(C)c2c(c1)C(C(C)C)CCC2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.64
SIGMAR1 Q99720 1/20 0.37
PDE9A O76083 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HRH3 Q9Y5N1 2/20 0.32
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
PSMB5 P28074 1/20 0.30

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
SCHEMBL6799194 0.78 UGT2B17 (1.00) UGT2B17SIGMAR1KDM4CPSMB5
SCHEMBL5272877 0.74 UGT2B17 (0.62) UGT2B17SIGMAR1KDM4CHRH3PSMB5
SCHEMBL703510 0.74 UGT2B17 (0.62) UGT2B17SIGMAR1KDM4CHRH3PSMB5
SCHEMBL30831935 0.74 UGT2B17 (0.62) UGT2B17SIGMAR1KDM4CHRH3PSMB5
SCHEMBL26294455 0.74 UGT2B17 (0.38) UGT2B17
Hydrochloric Acid SCHEMBL1976240 0.73 UGT2B17 (0.61) UGT2B17SIGMAR1KDM4CPSMB5
SCHEMBL24593611 0.72 UGT2B17 (0.33) UGT2B17PDE9A
SCHEMBL1508636 0.72 UGT2B17 (0.82) UGT2B17SIGMAR1KDM4CDRD2DRD1
SCHEMBL15287102 0.70 UGT2B17 (0.57) UGT2B17SIGMAR1KDM4CDRD2DRD1
SCHEMBL15286569 0.70 UGT2B17 (0.62) UGT2B17SIGMAR1KDM4C

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
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 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 (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-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 UGT2B17 2870/4885SIGMAR1 231/4885PDE9A 1545/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 UGT2B17 3050/4885SIGMAR1 237/4885PDE9A 1606/4885

“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.