SCHEMBL3664561

SCHEMBL3664561

NC(CCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.64
POLB P06746 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
S1PR2 O95136 1/20 0.56
S1PR4 O95977 1/20 0.56
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
NOS1 P29475 2/20 0.55
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TRPA1 O75762 1/20 0.54
LTA4H P09960 1/20 0.51
GSR P00390 1/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL3664379 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL17686506 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL17686507 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL28469566 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL23176817 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL24816430 1.00 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL3390123 0.98 GRIK1 (0.66) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL28465699 0.98 GRIK1 (0.66) GRIK1POLBKMT2ATDP1S1PR2
SCHEMBL372365 0.98 GRIK1 (0.66) GRIK1POLBKMT2ATDP1S1PR2
Hydrochloric Acid SCHEMBL27330363 0.96 GRIK1 (0.64) GRIK1POLBKMT2ATDP1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. 2022-12-29 US disclosed
US-9957286-B2 Method for the synthesis of solid heterogeneous chiral catalysts and their use in stereoselective reactions UNIVERSIDAD DE GUANAJUATO (MX) 2018-05-01 US disclosed
US-20170145041-A1 METHOD FOR THE SYNTHESIS OF SOLID HETEROGENEOUS CHIRAL CATALYSTS AND THEIR USE IN STEREOSELECTIVE REACTIONS UNIV GUANAJUATO (MX) 2017-05-25 US disclosed
CN-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed
EP-2235202-B1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX SA (FR) 2013-06-19 EP disclosed
US-8404460-B2 Method for detecting and/or identifying Clostridium difficile BIOMERIEUX (FR) 2013-03-26 US disclosed
CN-101970682-A Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2011-02-09 CN disclosed
US-20100279330-A1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX (FR) 2010-11-04 US disclosed
EP-2235202-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE Biomérieux (FR) 2010-10-06 EP disclosed
WO-2009092982-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE bioMérieux (FR) 2009-07-30 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-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCH, PRKCB GRIK1 1918/4885POLB 2482/4885KMT2A 2943/4885
US-20170145041-A1 METHOD FOR THE SYNTHESIS OF SOLID HETEROGENEOUS CHIRAL CATALYSTS AND THEIR USE IN STEREOSELECTIVE REACTIONS MCM4, DCXR, MCM6 GRIK1 2814/4885POLB 643/4885KMT2A 1616/4885

“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.