SCHEMBL22890959

SCHEMBL22890959

CC(C)OCCOCCOCC(C)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
TSHR P16473 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 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
SCHEMBL27129730 0.86 MAPT (0.40) NAAATSHRMAPTKMT2AMEN1
SCHEMBL27032222 0.86 MAPT (0.40) NAAATSHRMAPTKMT2AMEN1
SCHEMBL7863823 0.83 TSHR (0.54) NAAATSHRADRB2ADRB1ADRB3
SCHEMBL5471268 0.83 TSHR (0.54) TSHRMAPTKMT2AMAPK1HTT
SCHEMBL17955261 0.82 TSHR (0.45) NAAATSHRADRB2ADRB1ADRB3
SCHEMBL29198623 0.82 TSHR (0.41) TSHRMAPTKMT2AMEN1MAPK1
SCHEMBL29198648 0.82 TSHR (0.41) TSHRMAPTKMT2AMEN1MAPK1
SCHEMBL27031957 0.82 MAPT (0.41) TSHRMAPTKMT2AMEN1CA1
SCHEMBL27032599 0.82 MAPT (0.41) TSHRMAPTKMT2AMEN1CA1
SCHEMBL3508451 0.82 MAPT (0.41) TSHRMAPTKMT2AMEN1CA1

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 NAAA 4625/4885TSHR 3270/4885ADRB2 4712/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR NAAA 4625/4885TSHR 3270/4885ADRB2 4712/4885

“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.