SCHEMBL6498162

SCHEMBL6498162

CC(C)(C)OC(=O)CCCCNc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TLR8 Q9NR97 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
FDPS P14324 1/20 0.36
HTT P42858 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL30475386 0.81 TDP1 (0.56) CYP3A4CA1CA2STK17BSTK17A
SCHEMBL6496575 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2FDPS
SCHEMBL867510 0.76 BCHE (0.52) ALDH1A1CYP3A4CA1CA2STK17B
SCHEMBL22511717 0.73 KDM4E (0.41) ALDH1A1EPHX2LMNAHDAC8CYP3A4
SCHEMBL24881103 0.73 RAB9A (0.47) ALDH1A1EPHX2SMN1; SMN2CA1CA2
SCHEMBL134923 0.73 EPHX2 (0.46) ALDH1A1EPHX2LMNAHDAC8CA1
SCHEMBL9891452 0.73 ALDH1A1 (0.48) ALDH1A1LMNAHDAC8CA1CA2
SCHEMBL13007600 0.73 ALDH1A1 (0.54) ALDH1A1LMNAHPGDSMN1; SMN2FDPS
SCHEMBL7415378 0.72 TLR8 (0.54) ALDH1A1TLR8SMN1; SMN2FDPSHTT
SCHEMBL22511996 0.72 HDAC3 (0.51) ALDH1A1HDAC8

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 ALDH1A1 1997/4885EPHX2 2528/4885LMNA 4802/4885

“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.