SCHEMBL22837680

SCHEMBL22837680

COCC(=O)NCCCNC=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ ADH1B P00325 3/20 0.42
▸ ADH1A P07327 3/20 0.42
▸ ADH7 P40394 3/20 0.42
▸ ADH1C P00326 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EPHX1 P07099 2/20 0.41
▸ ADH4 P08319 1/20 0.41
▸ SPR P35270 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP2 P42575 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 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
SCHEMBL8326097 0.86 TSHR (0.54) TSHRFAAHMEN1KMT2AEPHX1
SCHEMBL8537389 0.84 FAAH (0.55) TSHRFAAHMEN1KMT2AEPHX1
SCHEMBL7786356 0.84 FAAH (0.55) TSHRFAAHMEN1KMT2AEPHX1
SCHEMBL10311847 0.83 TSHR (0.44) TSHRFAAHMEN1KMT2ASPR
SCHEMBL22837732 0.82 NAMPT (0.47) TSHRFAAHADH1BADH1AADH7
SCHEMBL24950323 0.79 MEN1 (0.48) TSHRFAAHMEN1KMT2AEPHX1
SCHEMBL25591306 0.79 ALDH1A1 (0.42) TSHRFAAHADH1BADH1AADH7
SCHEMBL22849696 0.79 KDM4E (0.54) TSHRFAAHMEN1KMT2ASPR
SCHEMBL10311845 0.79 SPR (0.41) TSHRFAAHSPRALDH1A1LMNA
SCHEMBL23568563 0.79 KDM4E (0.60) TSHRFAAHMEN1KMT2ASPR

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-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 — — 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TSHR 3319/4885FAAH 1771/4885ADH1B 3094/4885

“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.

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