SCHEMBL4135619

SCHEMBL4135619

Cc1cc2c(cn1)CCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.34
WNT3A P56704 4/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
OGA O60502 1/20 0.34
QPCT Q16769 2/20 0.33
KCNH2 Q12809 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NOTUM Q6P988 1/20 0.33
RIPK1 Q13546 1/20 0.33
PIR O00625 1/20 0.32
HSF1 Q00613 1/20 0.32
ALK Q9UM73 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
UHRF1 Q96T88 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL4143015 0.85 CTNNB1 (0.37) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL4131659 0.79 NPC1 (0.38) UHRF1
SCHEMBL23087988 0.78 CTNNB1 (0.34) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL4153041 0.78 CLK1 (0.35) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL18237921 0.77 OGA (0.37) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL13952606 0.77 CTNNB1 (0.35) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL24156960 0.75 OGA (0.40) CTNNB1WNT3AOGANOTUMALK
SCHEMBL102651 0.74 UHRF1 (0.37) UHRF1CHRNA7
SCHEMBL23088151 0.74 CTNNB1 (0.35) CTNNB1WNT3AHTR1DHTR2COGA
SCHEMBL10313886 0.74 CTNNB1 (0.37) CTNNB1WNT3AHTR1DHTR2COGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (5 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-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I CD74, HLA-DRB1, MICA CTNNB1 3045/4885WNT3A 1815/4885HTR1D 2147/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CTNNB1 4078/4885WNT3A 4472/4885HTR1D 4441/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CTNNB1 3780/4885WNT3A 2759/4885HTR1D 3353/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CTNNB1 3751/4885WNT3A 2689/4885HTR1D 3338/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CTNNB1 4535/4885WNT3A 3965/4885HTR1D 4139/4885

“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.