SCHEMBL4426663

SCHEMBL4426663

CCCCCCCOC=C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
CES2 O00748 1/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
LPAR3 Q9UBY5 7/20 0.38
LPAR2 Q9HBW0 6/20 0.38
LPAR1 Q92633 3/20 0.38
GBA1 P04062 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL4431951 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4429183 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4429565 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4437718 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL23853436 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4428272 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL23853439 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4428273 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4426661 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB
SCHEMBL4429568 1.00 NAAA (0.42) NAAACES2HTTMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544461-B2 Near infrared ray activation type positive resin composition KANSAI PAINT CO., LTD. (JP) 2009-06-09 US disclosed
US-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-20070259279-A1 Near Infrared Ray Activation Type Positive Resin Composition KANSAI PAINT CO., LTD. (JP) 2007-11-08 US disclosed
EP-1788432-A1 POSITIVE RESIN COMPOSITION OF NEAR-INFRARED-RAY ACTIVATION TYPE Kansai Paint Co., Ltd. (JP) 2007-05-23 EP disclosed
US-20060074262-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-04-06 US disclosed
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 US disclosed
EP-1415968-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kyowa Yuka Co., Ltd. (JP) 2004-05-06 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 (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-20060074262-A1 Process for producing ether compound AGL, ARL1, CYP2C8 NAAA 317/4885CES2 61/4885HTT 3250/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 NAAA 787/4885CES2 95/4885HTT 3514/4885

“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.