SCHEMBL26201175

SCHEMBL26201175

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
CNR2 P34972 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL24281978 0.77 NPC1 (0.33) NPC1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL821222 0.76 TDP1 (0.46) KMT2ASMN1; SMN2
SCHEMBL18944183 0.76 TDP1 (0.46) KMT2ASMN1; SMN2
SCHEMBL24281979 0.76 TDP1 (0.46) KMT2ASMN1; SMN2
SCHEMBL26201180 0.75 ELANE (0.35) NPC1CYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL26201185 0.74 ELANE (0.32) NPC1ELANEPOLBGAANPSR1
SCHEMBL14572732 0.72 KDM4E (0.35) NPC1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL26201589 0.70 ELANE (0.33) NPC1CYP2C19CYP1A2CYP2C9KMT2A
SCHEMBL26201200 0.69 CNR2 (0.33) NPC1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL20243596 0.69 MEN1 (0.31) CYP1A2KMT2ACYP2D6NPSR1

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-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 TETRA BIO-PHARMA INC. (CA) 2023-08-31 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-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 CYP3A43, PRMT8, MGMT NPC1 3226/4885CNR2 2295/4885CYP2C19 417/4885

“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.