SCHEMBL17722697

SCHEMBL17722697

CCCCOC[C@@H](O)[C@@H](OCCCC)[C@@H](OCCCC)C(=O)c1ccc2c(N)ncnn12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G4B P0C869 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
RIPK1 Q13546 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10142095 0.77
SCHEMBL10142420 0.74
SCHEMBL10154160 0.74
SCHEMBL15998196 0.71 KDM4E (0.32) KDM4ESMN1; SMN2RIPK1
SCHEMBL29321102 0.69 LMNA (0.32) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL17719365 0.69 RIPK1 (0.36) RIPK1LMNACYP1A2CYP2C9TSHR
SCHEMBL17719359 0.68 RIPK1 (0.38) RIPK1
SCHEMBL29321083 0.68 KDM4E (0.33) KDM4ESMN1; SMN2PLA2G4BLMNAALDH1A1
SCHEMBL10142116 0.67 ALDH1A1 (0.34) KDM4ESMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL16710434 0.67

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-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES, INC. 2016-05-05 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 (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-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES PRPS1, PRPF4, PRPF31 KDM4E 2330/4885SMN1; SMN2 340/4885PLA2G4B 2592/4885

“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.