SCHEMBL4437405

SCHEMBL4437405

CCCCCCCCCCOC=C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
GBA1 P04062 1/20 0.43
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.41
LPAR3 Q9UBY5 6/20 0.40
LPAR2 Q9HBW0 5/20 0.40
LPAR1 Q92633 2/20 0.40
NAAA Q02083 1/20 0.40
CES1 P23141 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
EPHX1 P07099 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
SCHEMBL4429063 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL4429558 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL4425605 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL14939281 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL4432502 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL5077032 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL4427588 1.00 CES2 (0.43) CES2GBA1THRBMEN1HTT
SCHEMBL4430804 0.98 CES2 (0.40) CES2GBA1THRBMEN1HTT
SCHEMBL4429201 0.90
SCHEMBL4371579 0.90 CES2 (0.30) CES2GBA1

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 CES2 61/4885GBA1 2558/4885THRB 3363/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 CES2 95/4885GBA1 2671/4885THRB 3460/4885

“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.