SCHEMBL23375439

SCHEMBL23375439

CC(C)OC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
CYP2D6 P10635 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK14 Q16539 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 3/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL27799352 0.82 SMN1; SMN2 (0.47) KDM4EHPGDSMN1; SMN2NPC1CYP2D6
SCHEMBL20718077 0.77 KDM4E (0.60) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15143918 0.75 SMN1; SMN2 (0.79) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2346923 0.75 GPR35 (0.47) SMN1; SMN2NPC1RAB9AHDAC3HDAC6
SCHEMBL16259491 0.75 MAPT (0.55) SMN1; SMN2NPC1RAB9AMAPK14HDAC3
SCHEMBL4881032 0.75 KDM4E (0.54) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9358296 0.75 HPGD (0.71) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL73113 0.74 HPGD (0.59) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL14200242 0.74 ALDH1A1 (0.60) KDM4ESMN1; SMN2HDAC3HDAC6MAPT
SCHEMBL9335041 0.73 HPGD (0.62) KDM4EHPGDSMN1; SMN2RAB9AALOX15

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-11013757-B2 Oligonucleotides, compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2021-05-25 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-11013757-B2 Oligonucleotides, compositions and methods thereof TLR9, RNGTT, NT5C3B KDM4E 1751/4885HPGD 4286/4885CYP1A2 4842/4885

“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.