SCHEMBL29324776

SCHEMBL29324776

CC(F)(F)Oc1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
NR1H4 Q96RI1 4/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
ESRRA P11474 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARA Q07869 2/20 0.31
PPARD Q03181 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 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
SCHEMBL15496972 0.89 GPR3 (0.42) NR1H4MRGPRX4KCNH2TRPV1CYP3A4
SCHEMBL25587215 0.79 PDE2A (0.36) PDE2AGPR3ALDH1A1MAPT
SCHEMBL25587226 0.79 AR (0.35) ESRRAGPR3ALDH1A1MAPT
SCHEMBL8225342 0.79 CA1 (0.45) HTR2ASLC6A4KCNH2TSHRHSP90AA1
SCHEMBL1980396 0.76 ALDH1A1 (0.43) MRGPRX4ALDH1A1HSD11B1
SCHEMBL20763363 0.76 MCL1 (0.45) MRGPRX4HTR2ASLC6A4KCNH2CYP3A4
SCHEMBL22904715 0.75 PPARA (0.45) ESRRAHTR2ASLC6A4KCNH2PPARA
SCHEMBL13141644 0.74 GPR3 (0.42) NR1H4KCNH2TRPV1CYP3A4MAPK1
SCHEMBL12733338 0.74 AR (0.44) NR1H4ESRRAHTR2ASLC6A4KCNH2
SCHEMBL13762179 0.74 NQO1 (0.46) CYP3A4TSHRTDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP PDE2A 724/4885NR1H4 1049/4885MRGPRX4 826/4885

“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.