SCHEMBL8367259

SCHEMBL8367259

CCNCCCC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
LTA4H P09960 2/20 0.47
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL132536 0.92 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL130596 0.92 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL8636181 0.91 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1327984 0.88 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
Diethylamine SCHEMBL358240 0.87 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2969978 0.87 GAA (0.54) CYP1A2GAAMGAMSIMGAM2
SCHEMBL8851020 0.86 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL16948556 0.86 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11183623 0.86 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL10757823 0.85 GAA (0.52) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 CN 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A CYP1A2 544/4885GAA 446/4885MGAM 4511/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 CYP1A2 1276/4885GAA 2652/4885MGAM 4727/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 CYP1A2 865/4885GAA 346/4885MGAM 4023/4885

“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.