SCHEMBL29923015

SCHEMBL29923015

COC(=O)Oc1cc(N)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
JAK2 O60674 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
NR1I2 O75469 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CUL4A Q13619 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL377054 1.00 KDM4E (0.40) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL22408771 0.93 KDM4E (0.36) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL376917 0.87 KDM4E (0.34) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL1789205 0.86 KDM4E (0.44) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL19438402 0.86 CFTR (0.38) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL19438426 0.86 CUL4A (0.38) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL19438424 0.86 CUL4A (0.44) KDM4EHPGDHSD17B10CYP3A4GAA
SCHEMBL784720 0.85 KDM4E (0.35) KDM4EHPGDHSD17B10
SCHEMBL17875115 0.84 KDM4E (0.34) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL16154614 0.84 VCAM1 (0.38) KDM4EHPGDHSD17B10LMNAGAA

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-20240270694-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND NOVEL SOLVATES THEREOF RK PHARMA INC. (US) 2024-08-15 US disclosed
WO-2022148822-A1 USP5 BINDING SURVIVAL-TARGETING CHIMERIC (SURTAC) MOLECULES & USES THEREOF LOCKI THERAPEUTICS LIMITED (GB) 2022-07-14 WO 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-20240270694-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND NOVEL SOLVATES THEREOF SLC10A2, SLC10A1, AVPR2 KDM4E 1551/4885HPGD 2489/4885HSD17B10 351/4885

“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.