SCHEMBL3485782

SCHEMBL3485782

CCOC(=O)CCC(C)(C)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL3486385 0.87 POLB (0.44) SMN1; SMN2MAPTLMNACNR1CNR2
SCHEMBL3486362 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAPOLBNPC1
SCHEMBL1809731 0.85 GRIN2D (0.49) SMN1; SMN2MAPTLMNACNR1CNR2
SCHEMBL3486832 0.84 CNR1 (0.47) SMN1; SMN2MAPTLMNACNR1CNR2
SCHEMBL4677396 0.82 CNR1 (0.42) SMN1; SMN2MAPTLMNACNR1CNR2
SCHEMBL1831814 0.82 KMT2A (0.45) SMN1; SMN2MAPTLMNACNR1CNR2
SCHEMBL4677964 0.80 KMT2A (0.41) SMN1; SMN2LMNACNR1CNR2POLB
SCHEMBL11615735 0.76 NPC1 (0.45) SMN1; SMN2MAPTLMNACNR2POLB
SCHEMBL3668963 0.75 CYP4F2 (0.68) MAPTLMNACYP4F2CYP4A11L3MBTL1
SCHEMBL27980232 0.75 CNR2 (0.48) SMN1; SMN2MAPTLMNACNR2NPC1

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 SMN1; SMN2 3790/4885MAPT 3292/4885LMNA 3564/4885

“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.