SCHEMBL25448264

SCHEMBL25448264

CC(C)COC(=O)C(C)C(C)C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 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
SCHEMBL30145011 0.88 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL15015616 0.79 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL7224813 0.78 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL41548 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL27617605 0.76 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL10308340 0.74 TP53 (0.35) TSHRALDH1A1TDP1
Isopropyl Alcohol SCHEMBL28680436 0.73 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL2275427 0.72 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL21693625 0.71 TSHR (0.42) TSHRTDP1L3MBTL1LMNACA12
SCHEMBL25889087 0.71

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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS TSHR 4421/4885ALDH1A1 1860/4885SMN1; SMN2 4686/4885

“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.