SCHEMBL17466735

SCHEMBL17466735

C=C(C)C(=C)[C@H](C)NC(=S)N[C@@H](C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13949688 0.74 HTT (0.55) HTTTDP1MEN1KMT2AALPL
SCHEMBL10710110 0.74 HSD17B10 (0.52) TDP1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL13810445 0.74 HSD17B10 (0.52) HTTTDP1MEN1KMT2AHDAC6
SCHEMBL28527565 0.74 HSD17B10 (0.52) HTTTDP1MEN1KMT2AHDAC6
SCHEMBL10488928 0.73 HTT (0.54) HTTTDP1MEN1KMT2AALPL
SCHEMBL15398440 0.73 HTT (0.54) HTTTDP1MEN1KMT2AALPL
SCHEMBL26127385 0.72 HTT (0.57) HTTTDP1MEN1KMT2AALPL
SCHEMBL27773043 0.72 HSD17B10 (0.53) HTTTDP1MEN1KMT2AALPL
SCHEMBL1629333 0.71 KDM4E (0.55) TDP1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL5455317 0.71 HSD17B10 (0.64) HTTTDP1MEN1KMT2AALDH1A1

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 HTT 2079/4885TDP1 4498/4885MEN1 3293/4885

“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.