SCHEMBL22734013

SCHEMBL22734013

Cn1cc(/C=C/C(=O)OC(=O)C(C)(C)C)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
CASP3 P42574 1/20 0.59
RAB9A P51151 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALDH1A1 P00352 4/20 0.49
IMPDH2 P12268 1/20 0.49
PRKCA P17252 3/20 0.47
PRKCE Q02156 3/20 0.47
RASGRP3 Q8IV61 3/20 0.47
RASGRP1 O95267 1/20 0.45
PRKCD Q05655 1/20 0.45
NR4A2 P43354 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.42

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
SCHEMBL22713034 0.89 KMT2A (0.68) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL22713035 0.83 MEN1 (0.60) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL23600586 0.82 MEN1 (0.66) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL2134416 0.79 MEN1 (0.61) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL8494188 0.79 KMT2A (0.73) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL8494191 0.79 KMT2A (0.73) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL14756766 0.78 MAPT (0.71) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL2940762 0.78 MEN1 (0.76) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL2940766 0.78 MEN1 (0.76) MEN1KMT2AMAPTNPC1CASP3
SCHEMBL15984842 0.77 KMT2A (0.66) MEN1KMT2AMAPTNPC1CASP3

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-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO MEN1 1134/4885KMT2A 2446/4885MAPT 2707/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 MEN1 1394/4885KMT2A 2507/4885MAPT 2532/4885

“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.