SCHEMBL20349882

SCHEMBL20349882

CCC(C)(C)C(=O)c1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 10/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL13456694 0.86 ALDH1A1 (0.54) RIPK1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL15445468 0.85 ELANE (0.47) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL23313034 0.82 KDM4E (0.47) RIPK1ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL23425665 0.82 LMNA (0.44) RIPK1ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL6153221 0.81 RIPK1 (0.51) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23313200 0.81 ALDH1A1 (0.51) RIPK1ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL22108043 0.80 PDK2 (0.42) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL5058742 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10293347 0.78 CTSD (0.53) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL18387704 0.78 POLB (0.51) RIPK1KDM4EKMT2A

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-10646432-B2 Synthesis and application of microbubble-forming compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-12 — — US disclosed
US-20180185272-A1 SYNTHESIS AND APPLICATION OF MICROBUBBLE-FORMING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-07-05 — — 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-20180185272-A1 SYNTHESIS AND APPLICATION OF MICROBUBBLE-FORMING COMPOUNDS DGKG, DGKB, FABP4 RIPK1 1855/4885ALDH1A1 4614/4885KDM4E 2986/4885
US-10646432-B2 Synthesis and application of microbubble-forming compounds DGKG, DGKB, FABP4 RIPK1 1855/4885ALDH1A1 4614/4885KDM4E 2986/4885

“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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