SCHEMBL21401774

SCHEMBL21401774

C=CC(=O)n1ccc2cc(C(C)C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.37
ACHE P22303 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KRAS P01116 4/20 0.34
PPARG P37231 1/20 0.34
PTGES O14684 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
EIF4A3 P38919 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TFPI2 P48307 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL21392869 0.88 HTR7 (0.37) TYRACHESMN1; SMN2NOTUMPTGES
SCHEMBL22515890 0.81 NOTUM (0.54) TYRSMN1; SMN2NOTUMCYP11B1CYP11B2
SCHEMBL21392786 0.79 OXER1 (0.39) SMN1; SMN2KRASALDH1A1
SCHEMBL20905230 0.78 AKR1C3 (0.38) ACHENOTUMCYP11B1CYP11B2KRAS
SCHEMBL20905233 0.77 OXER1 (0.54) ACHEKRAS
SCHEMBL21808239 0.77 KRAS (0.50) KRAS
SCHEMBL20905232 0.77 TFPI2 (0.47) ACHENOTUMKRASTFPI2ALDH1A1
SCHEMBL31357337 0.77 KRAS (0.50) KRAS
SCHEMBL8508521 0.77 SMN1; SMN2 (0.35) TYRSMN1; SMN2NOTUMCYP11B1CYP11B2
SCHEMBL20905148 0.77 TUBB1 (0.56) ACHESMN1; SMN2TUBB1TFPI2ALDH1A1

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-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
WO-2019183600-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO 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-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 TYR 3762/4885ACHE 4822/4885SMN1; SMN2 3721/4885

“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.