SCHEMBL24656277

SCHEMBL24656277

CCC(C)(C)c1cccc(OC(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HMGCR P04035 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23516970 0.85 HMGCR (0.38) HCRTR1HCRTR2HMGCRRAB9ANPC1
SCHEMBL15607557 0.83 PDE10A (0.40) PDE10AMBOAT4HCRTR1HCRTR2RXRA
SCHEMBL2564668 0.80 MBOAT4 (0.37) PDE10AMBOAT4HCRTR1HCRTR2RXRA
SCHEMBL13194991 0.80 GRM5 (0.36) PDE10AHCRTR1HCRTR2HMGCRRAB9A
SCHEMBL26825062 0.79 IDH1 (0.34) HCRTR1HCRTR2RAB9ANPC1LMNA
SCHEMBL18517182 0.78 MAPK8 (0.44) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL12807617 0.77 NPC1 (0.33) HMGCRRAB9ANPC1LMNAMAPK1
SCHEMBL2556721 0.76 JAK2 (0.38) PDE10AMBOAT4HCRTR1HCRTR2RXRA
SCHEMBL2562775 0.74 MAPT (0.38) MBOAT4HCRTR1HCRTR2MAPT
SCHEMBL18523003 0.73 TSHR (0.36) HMGCR

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 594/4885MBOAT4 116/4885HCRTR1 422/4885

“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.