SCHEMBL17200860

SCHEMBL17200860

CC(C)[Si](OC1CCCCc2cc3ccc(=O)oc3cc2C1)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ GAA P10253 5/20 0.38
▸ ACHE P22303 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MGAM O43451 2/20 0.38
▸ SI P14410 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ MGAM2 Q2M2H8 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CA9 Q16790 3/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL17037971 0.78 GAA (0.45) MAOAKDM4EALDH1A1GAAACHE
SCHEMBL17026674 0.78 MAOB (0.53) MAOAKDM4EALDH1A1GAANPC1
SCHEMBL17026607 0.75 GAA (0.48) MAOAKDM4EALDH1A1GAAACHE
SCHEMBL17037979 0.73 NPC1 (0.33) ALDH1A1NPC1KMT2ARAB9AMEN1
SCHEMBL17026534 0.70 POLA1 (0.34) —
SCHEMBL17026637 0.68 MCL1 (0.46) MAOAKDM4EALDH1A1GAAACHE
SCHEMBL16674816 0.63 MAOA (0.68) MAOAKDM4EALDH1A1GAAKMT2A
7-Cyclohexyloxycoumarin SCHEMBL14802688 0.62 MAOA (0.67) MAOAKDM4EALDH1A1GAAKMT2A
SCHEMBL12075725 0.61 ALDH1A1 (0.66) MAOAKDM4EALDH1A1GAAACHE
SCHEMBL8806820 0.61 KDM4E (0.61) KDM4EALDH1A1GAAACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10119972-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2018-11-06 — — US disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 — — US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 — — US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 — — US disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 — — US disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 — — 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 (3 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-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MAOA 135/4885KDM4E 4416/4885ALDH1A1 364/4885
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MAOA 135/4885KDM4E 4318/4885ALDH1A1 273/4885
US-10119972-B2 Reactive labelling compounds and uses thereof MPI, AADAC, PAICS MAOA 135/4885KDM4E 4318/4885ALDH1A1 273/4885

“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.

Send feedback