SCHEMBL667268

SCHEMBL667268

O=C(N[C@@H]1CC[N]C1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
KDM5A P29375 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL664057 1.00 POLB (0.48) POLBL3MBTL1HSD17B10ALDH1A1EPHX2
SCHEMBL5076 1.00 POLB (0.48) POLBL3MBTL1HSD17B10ALDH1A1EPHX2
SCHEMBL2749532 0.90 HDAC8 (0.45) POLBL3MBTL1ALDH1A1EPHX2MAPK1
SCHEMBL5110596 0.78 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1EPHX2MAPK1
SCHEMBL667136 0.77
SCHEMBL666297 0.77
SCHEMBL4490 0.77
SCHEMBL1489900 0.76 MTNR1A (0.41) MAPK1LMNAKDM5ATSHR
SCHEMBL103961 0.74
SCHEMBL4999 0.73 SMN1; SMN2 (0.35) POLBALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US claimed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 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 (3 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-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO POLB 3123/4885L3MBTL1 4879/4885HSD17B10 1987/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO POLB 1878/4885L3MBTL1 3891/4885HSD17B10 1104/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO POLB 1878/4885L3MBTL1 3891/4885HSD17B10 1104/4885

“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.