SCHEMBL647557

SCHEMBL647557

CCC[C](C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 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
SCHEMBL9477965 0.79 CES1 (0.42) CES2CES1TSHRTDP1
SCHEMBL4655343 0.77 TSHR (0.33) TSHRTDP1
SCHEMBL4655167 0.77
SCHEMBL1986410 0.75
SCHEMBL83007 0.73
SCHEMBL11845950 0.72
SCHEMBL9494181 0.70 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13317699 0.70 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1275421 0.70 CA1 (0.37)
SCHEMBL3280806 0.70 CES1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718016-B1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS UMICORE AG & CO KG (DE) 2019-08-14 EP disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
WO-2015066696-A1 FUSED MORPHLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
EP-2718016-A1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS Umicore AG & Co. KG (DE) 2014-04-16 EP disclosed
WO-2007109633-A2 ORGANOTELLURIUM AND SELENIUM-BASED ANTIMICROBIAL ANTIMICROBIAL FORMULATIONS AND ARTICLES ANDOVER HEALTHCARE, INC. (US) 2007-09-27 WO disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20060287313-A1 Isoquinoline compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
US-20060287311-A1 Tetracyclic Sulfonamide Compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
WO-2006093667-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 WO disclosed
WO-2006094012-A2 PENTACYCLIC ALKALOID COMPOUNDS AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-09-08 WO disclosed
WO-2006093666-A2 ISOQUNOLINE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 WO disclosed
WO-2006093677-A1 TETRACYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 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 (6 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-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC HDAC3 902/4885HDAC1 623/4885HDAC2 574/4885
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP HDAC3 2992/4885HDAC1 2428/4885HDAC2 3367/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS HDAC3 1841/4885HDAC1 1223/4885HDAC2 1522/4885
US-20060287313-A1 Isoquinoline compounds and methods of use thereof GLS, PINK1, PARK7 HDAC3 1769/4885HDAC1 2006/4885HDAC2 1186/4885
US-20060287311-A1 Tetracyclic Sulfonamide Compounds and methods of use thereof TST, SNCA, TXNRD2 HDAC3 1707/4885HDAC1 1019/4885HDAC2 666/4885
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof GLS, AADAT, IAPP HDAC3 2162/4885HDAC1 1486/4885HDAC2 1470/4885

“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.