SCHEMBL16449929

SCHEMBL16449929

C[C@H]([C@@H]1CCCC1P(c1ccccc1)c1ccccc1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19286312 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL15012994 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL19917246 0.88 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL13948992 0.88 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL16317653 0.88 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL20886099 0.87
SCHEMBL14140850 0.86
SCHEMBL16449961 0.86
SCHEMBL14140905 0.85
SCHEMBL16449959 0.85

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-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO DOLLE ROLAND E (US) 2015-02-12 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-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO OPRK1, OPRM1, OPRD1 KDM4E 4138/4885MEN1 4735/4885ALDH1A1 2714/4885

“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.