SCHEMBL4714435

SCHEMBL4714435

CCOC(=O)C(C#N)=C(C)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 3/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL17139814 1.00 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL4714434 1.00 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL238244 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL238243 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL238242 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL8783520 0.85 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL4959620 0.85 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL4959625 0.85 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL27578519 0.84 THRB (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL2115865 0.83 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1CYP2C9MAPT

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-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
EP-1622903-B1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PROD INC (US) 2008-10-01 EP disclosed
EP-1622903-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004094421-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214856-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 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-10392389-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885TSHR 3180/4885L3MBTL1 4311/4885
US-20040214856-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1920/4885TSHR 524/4885L3MBTL1 3805/4885
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ALDH1A1 3714/4885TSHR 3180/4885L3MBTL1 4311/4885

“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.