SCHEMBL25004046

SCHEMBL25004046

CC(C)n1cc(C(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 3/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
USP5 P45974 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35

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
SCHEMBL25004044 0.84 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL18593488 0.79 MEN1 (0.44) SMN1; SMN2TSHRHSD17B10TDP1ALDH1A1
SCHEMBL8267803 0.77 BRD4 (0.55) L3MBTL1BRD4BRD9
SCHEMBL18286388 0.77 BRD4 (0.43) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL21904789 0.75 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL23957953 0.75 BRD4 (0.37) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL1757958 0.75 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL25003425 0.72 BRD4 (0.51) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL26253554 0.71 PDE4A (0.39) L3MBTL1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22094637 0.70 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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 (2 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF L3MBTL1 926/4885SMN1; SMN2 4340/4885TSHR 3955/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY L3MBTL1 959/4885SMN1; SMN2 3865/4885TSHR 1602/4885

“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.