SCHEMBL23946196

SCHEMBL23946196

C/C1=C/CC(=O)c2ccccc2C(=O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BRD4 O60885 5/20 0.34
TYMS P04818 1/20 0.33
NOTUM Q6P988 1/20 0.33
CES1 P23141 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA3 P22001 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PKM P14618 1/20 0.32
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL28490476 0.74 CDC25B (0.39) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL6055443 0.71 TRIM24 (0.46) ALDH1A1
SCHEMBL29385474 0.70 MAOA (0.56) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL855431 0.70 MAOA (0.56) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL28940438 0.69 TRIM24 (0.43) ALDH1A1
SCHEMBL30692848 0.68 MAOA (0.76) CYP2A6MAOAMAOBMEN1KMT2A
Water SCHEMBL460840 0.67 MAOA (0.54) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL18607288 0.67 MAOA (0.91) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL18716863 0.67 MAOA (0.91) CYP2A6MAOAMAOBMEN1KMT2A
SCHEMBL28905016 0.67 PTPRC (0.45) CYP2A6MAOAMAOBMEN1KMT2A

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2A6 3140/4885MAOA 2771/4885MAOB 2743/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2A6 3140/4885MAOA 2771/4885MAOB 2743/4885

“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.