SCHEMBL17449696

SCHEMBL17449696

Cc1ccc(CC(C)(C)C)c(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
RIPK1 Q13546 2/20 0.38
GPR3 P46089 1/20 0.37
ACHE P22303 1/20 0.34
CYP2C9 P11712 2/20 0.33
SCN9A Q15858 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 2/20 0.32
SYK P43405 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
PPARG P37231 1/20 0.31
HTR2B P41595 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL22390532 0.83 RIPK1 (0.41) MGLLRIPK1GPR3PDE2A
SCHEMBL16960646 0.82 KDM4E (0.43) MGLLGPR3ACHECYP2C9MRGPRX1
SCHEMBL12558382 0.81 CNR2 (0.40) RIPK1SMN1; SMN2
SCHEMBL15297036 0.81 GPR3 (0.38) MGLLGPR3ACHECYP2C9SCN9A
SCHEMBL9917304 0.80 ACHE (0.52) RIPK1ACHECYP2C9CYP1A2TSHR
SCHEMBL16961045 0.79 GPR3 (0.37) MGLLGPR3ACHESCN9APGK1
SCHEMBL17449714 0.78 GPR3 (0.36) MGLLGPR3ACHECYP2C9
SCHEMBL25786874 0.77 GPR3 (0.36) MGLLGPR3ACHECYP2C9SCN9A
SCHEMBL1690342 0.77 RIPK1 (0.58) RIPK1GRIN2B
SCHEMBL22066846 0.76 SRC (0.50) MGLLCYP2C9TSHRSMN1; SMN2

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-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 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 (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-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 MGLL 1260/4885RIPK1 3128/4885GPR3 8/4885

“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.