SCHEMBL20045056

SCHEMBL20045056

CCC(CC)CC(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
CA2 P00918 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
SCHEMBL21727395 0.86 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13233398 0.80 USP2 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL14671182 0.77 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL12511593 0.77 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL11343974 0.75 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL11668668 0.75 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL6584552 0.75 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13003357 0.73 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4CA2
SCHEMBL21756132 0.73 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL21253928 0.73 TSHR (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR

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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20180101106-A1 CHARGING MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-12 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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 ALDH1A1 4012/4885CHRNB2 4377/4885CHRNB4 4708/4885

“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.