SCHEMBL25840685

SCHEMBL25840685

CCC(CO)COC(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13897063 0.87 TSHR (0.37) TSHRTDP1
SCHEMBL1298164 0.84 LMNA (0.33) TSHRLMNA
SCHEMBL5655854 0.80 ALDH1A1 (0.41) ALDH1A1TRPA1LMNA
SCHEMBL21064215 0.78 TSHR (0.36) TSHR
Propylene Glycol SCHEMBL10498386 0.76 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1
SCHEMBL13185947 0.76 ALDH1A1 (0.46) ALDH1A1TRPA1TSHRLMNATDP1
SCHEMBL26048705 0.75 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL26064529 0.75
Ethylene Glycol SCHEMBL10498005 0.74 ALDH1A1 (0.52) ALDH1A1TSHRLMNATDP1
SCHEMBL25541501 0.74 LMNA (0.32) LMNA

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-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 4766/4885TRPA1 4691/4885TSHR 3270/4885

“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.