SCHEMBL5576161

SCHEMBL5576161

CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)c(C)s2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
HTT P42858 1/20 0.72
MAPT P10636 5/20 0.66
GAA P10253 2/20 0.66
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
XIAP P98170 1/20 0.46
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
RORC P51449 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
SCHEMBL1915286 0.88 MAPT (0.68) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL1915954 0.88 MAPT (0.66) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL17899118 0.87 ALDH1A1 (0.74) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL6861634 0.86 ALDH1A1 (0.77) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL17899112 0.86 ALDH1A1 (0.83) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL5574964 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL5574968 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL5574960 0.85 ALDH1A1 (0.71) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL2396558 0.76 ALDH1A1 (0.60) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL2399219 0.76 ALDH1A1 (0.58) ALDH1A1HTTMAPTGAAKDM4E

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-20070031849-A1 Three-dimensional structure of DNA recombination/repair protein and use thereof RIKEN (JP) 2007-02-08 US disclosed
EP-1452590-A1 STEREOSTRUCTURE OF DNA RECOMBINATION REPAIR ENZYME AND UTILIZATION THEREOF Riken (JP) 2004-09-01 EP 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-20070031849-A1 Three-dimensional structure of DNA recombination/repair protein and use thereof RAD52, RAD50, RAD54L ALDH1A1 1829/4885HTT 3729/4885MAPT 3144/4885

“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.