SCHEMBL15577422

SCHEMBL15577422

CC(C)c1ccc(F)c(C2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.38
KIF11 P52732 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
OPRL1 P41146 3/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAOA P21397 1/20 0.34
TACR1 P25103 1/20 0.33
MMP13 P45452 1/20 0.33
SOS1 Q07889 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
KCNH2 Q12809 2/20 0.32
AKT1 P31749 1/20 0.31
PDE2A O00408 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
SCHEMBL765026 0.88 CHRNB2 (0.36) KIF11SMN1; SMN2GAAHPGDSOS1
SCHEMBL18407477 0.87 OPRL1 (0.42) RPS6KA3KIF11SMN1; SMN2GAAHPGD
SCHEMBL10247692 0.85 NPSR1 (0.37) RPS6KA3GAAHPGDOPRL1MAOA
SCHEMBL10192355 0.85 RPS6KA3 (0.35) RPS6KA3OPRL1TLR9TLR8TLR7
SCHEMBL13091255 0.85 APP (0.38) KIF11SMN1; SMN2CHRNB2CHRNA4MGLL
SCHEMBL10289811 0.85 APP (0.35) KIF11GAAHPGDCHRNB2CHRNA4
SCHEMBL765916 0.83 APP (0.40) KIF11SMN1; SMN2CHRNB2CHRNA4
SCHEMBL19245044 0.77 CHRNB2 (0.35) KIF11SMN1; SMN2GAAHPGDOPRL1
SCHEMBL26230979 0.76 MAPT (0.38) KIF11SMN1; SMN2MMP13MGLLALDH1A1
SCHEMBL25147211 0.75 RPS6KA3 (0.40) RPS6KA3OPRL1MAOAALDH1A1

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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 RPS6KA3 253/4885KIF11 2128/4885SMN1; SMN2 3277/4885

“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.