SCHEMBL21001064

SCHEMBL21001064

CN(CCNCCOCCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
PAOX Q6QHF9 1/20 0.31
LMNA P02545 1/20 0.31
ACHE P22303 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
SCHEMBL27088820 0.81 PAOX (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17555598 0.81 TSHR (0.43) KDM4EALDH1A1TSHRMAPK1MEN1
SCHEMBL25415513 0.81 CYP2C9 (0.37) KDM4EALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL19885951 0.80 CA14 (0.37) ALDH1A1TDP1
SCHEMBL7124808 0.80 CYP2C9 (0.45) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL21069229 0.80 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL21069994 0.80 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL21458802 0.80 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL12287335 0.79 FPR3 (0.37) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL22631509 0.78 TSHR (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 EP disclosed
US-11633492-B2 Process for the synthesis of linker-drug vc-seco-DUBA BYONDIS B.V. (NL) 2023-04-25 US disclosed
EP-3883926-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS Regeneron Pharmaceuticals, Inc. (US) 2021-09-29 EP disclosed
EP-3713939-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO BYONDIS BV (NL) 2021-07-21 EP disclosed
US-20200368362-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA BYONDIS B.V. (NL) 2020-11-26 US disclosed
EP-3713939-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO Byondis B.V. (NL) 2020-09-30 EP disclosed
WO-2019101850-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2019-05-31 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 (2 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-11633492-B2 Process for the synthesis of linker-drug vc-seco-DUBA VCL, VCP, UBA2 KDM4E 312/4885ALDH1A1 3334/4885SMN1; SMN2 2228/4885
US-20200368362-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF LINKER-DRUG VC-SECO-DUBA UBE3A, VCP, VCL KDM4E 361/4885ALDH1A1 2631/4885SMN1; SMN2 2095/4885

“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.