SCHEMBL962823

SCHEMBL962823

CC1(C)[C@@H](N(Cc2ccccc2)C(=O)O)C[C@H]1C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
CCR5 P51681 2/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
DPP4 P27487 2/20 0.38
CTSD P07339 1/20 0.38
KCNH2 Q12809 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL963061 0.99 KMT2A (0.41) MEN1KMT2ATSHRLMNACCR5
SCHEMBL962485 0.90 HSD11B1 (0.51) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL962557 0.90 ALDH1A1 (0.48) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL962486 0.90 HSD11B1 (0.51) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL965719 0.82 LMNA (0.43) MEN1KMT2ALMNACCR5NPC1
SCHEMBL17044870 0.81 CTSD (0.42) MEN1KMT2ALMNACCR5NPC1
SCHEMBL17044862 0.74 CTSD (0.43) MEN1KMT2ALMNACCR5NPC1
SCHEMBL17044842 0.74 CTSD (0.36) MEN1KMT2ALMNACCR5NPC1
SCHEMBL17044841 0.74 CTSD (0.36) MEN1KMT2ALMNACCR5NPC1
SCHEMBL962195 0.71 HPGD (0.32) MEN1KMT2ALMNAALDH1A1HPGD

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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS MEN1 3268/4885KMT2A 4391/4885TSHR 3327/4885

“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.