SCHEMBL5995334

SCHEMBL5995334

CCOC(=O)c1cc2cc3c(nc2s1)CC[C@@H](C(C)(C)C)C3

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 7/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
IKBKB O14920 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLF5 Q13887 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4703675 1.00 KDM4E (0.41) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL4705338 0.92 RORC (0.46) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL5997840 0.92 RORC (0.46) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL4705340 0.92 RORC (0.46) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL4702415 0.85 MAPT (0.40) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL22691739 0.85 MAPT (0.40) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL4701786 0.85 MAPT (0.40) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL22699253 0.85 ALDH1A1 (0.39) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL29926097 0.85 MAPT (0.40) KDM4ETP53POLBALDH1A1NPC1
SCHEMBL4701703 0.85 KDM4E (0.41) KDM4ETP53POLBALDH1A1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C KDM4E 501/4885TP53 580/4885POLB 859/4885

“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.