SCHEMBL22890897

SCHEMBL22890897

CC(C)OCCCCCc1cccc(-c2cccc(CCCCOC(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTPN11 Q06124 1/20 0.35
AGXT P21549 1/20 0.35
HDAC1 Q13547 1/20 0.35
HTR7 P34969 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
SCHEMBL13703299 0.85 LPL (0.40) LPLLIPGPPARGPPARA
SCHEMBL14692925 0.84 CYSLTR2 (0.39) LPLLIPG
SCHEMBL13703030 0.84 CYSLTR2 (0.39) LPLLIPG
SCHEMBL9205158 0.82 TDP1 (0.49)
SCHEMBL22861338 0.82 TDP1 (0.49)
SCHEMBL13636301 0.81 HTR2C (0.38) HTR1ALPLLIPGPPARGPPARA
SCHEMBL13636267 0.81 HTR2C (0.38) HTR1ALPLLIPGPPARGPPARA
SCHEMBL13636300 0.81 HTR2C (0.38) HTR1ALPLLIPGPPARGPPARA
SCHEMBL28827740 0.81 AGXT (0.47) HTR1AFFAR4AGXTHDAC1HTR7
SCHEMBL22281732 0.80 IDO1 (0.48)

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-11230557-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-14 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-20210008041-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR HTR1A 4040/4885LPL 2978/4885LIPG 1914/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR HTR1A 4040/4885LPL 2978/4885LIPG 1914/4885

“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.