SCHEMBL18173799

SCHEMBL18173799

CC1(C)OB(c2cccn2Cc2ccccc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
ELANE P08246 2/20 0.37
ADRA1D P25100 1/20 0.36
NOTUM Q6P988 1/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL16907891 0.81 BRD4 (0.47) ALDH1A1KDM4EL3MBTL1BRD4BRD2
SCHEMBL3281005 0.79 CYP11B2 (0.49) LPLLIPGANPEPLAP3DGAT1
SCHEMBL19260099 0.74 P2RX7 (0.41) ALDH1A1KDM4ELPLLIPGL3MBTL1
SCHEMBL19887482 0.74 LPL (0.33) ALDH1A1LPLLIPG
SCHEMBL3288256 0.73 MAPK14 (0.47) HDAC6KDM4ELPLLIPGELANE
SCHEMBL28845961 0.72 LPL (0.43) ALDH1A1LPLLIPGANPEPLAP3
SCHEMBL14857772 0.71 LIPG (0.46) LPLLIPGANPEPLAP3ELANE
SCHEMBL18239357 0.71 HTR6 (0.48) LPLLIPGBRD4DGAT1
SCHEMBL2240402 0.71 APP (0.44) HDAC8HDAC6LPLLIPGBRD4
SCHEMBL30717 0.71 LPL (0.40) LPLLIPG

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
US-10821429-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2020-11-03 US disclosed
US-20190262817-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME UNIVERSITé LAVAL (CA) 2019-08-29 US disclosed
US-10258976-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2019-04-16 US disclosed
EP-3389859-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME Université Laval (CA) 2018-10-24 EP disclosed
US-20180280950-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME UNIVERSITE LAVAL (CA) 2018-10-04 US disclosed
EP-3298018-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS. Université Laval (CA) 2018-03-28 EP disclosed
WO-2016168914-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS UNIVERSITé LAVAL (CA) 2016-10-27 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-10258976-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same SP1, LEF1, FOS HDAC8 4024/4885HDAC6 1377/4885ALDH1A1 3228/4885
US-20180280950-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME SP1, LEF1, FOS HDAC8 4024/4885HDAC6 1377/4885ALDH1A1 3228/4885

“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.