SCHEMBL26138804

SCHEMBL26138804

CC(C)(C)OCC(=O)N1CCC(C(=O)C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 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
SCHEMBL26501773 0.83 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL25039064 0.83 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL20381555 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL26140361 0.81 HRH3 (0.40) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL20381502 0.80 KMT2A (0.48) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL22332225 0.80 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL16591600 0.80 CYP2D6 (0.45) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL16886298 0.80 EPHX2 (0.46) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL26138786 0.79 HPGD (0.47) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL22332263 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AL3MBTL1

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-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 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-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 ALDH1A1 1632/4885TSHR 2530/4885MEN1 3256/4885

“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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