SCHEMBL4436544

SCHEMBL4436544

CCC(C)=COCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4436541 1.00 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL4436063 0.88 PTPN1 (0.34)
SCHEMBL4436060 0.88 PTPN1 (0.34)
SCHEMBL4428787 0.80 CA12 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL4425841 0.79 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL4437521 0.77 TSHR (0.31)
SCHEMBL4437523 0.77 TSHR (0.31)
SCHEMBL4437740 0.77
SCHEMBL4437744 0.77
SCHEMBL4437389 0.73 ALDH1A1 (0.39) ALDH1A1

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-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
CN-101027609-A Positive resin composition of near-infrared-ray activation type KANSAI PAINT CO LTD (JP) 2007-08-29 CN 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 CA12 4296/4885CA1 4504/4885CA2 2210/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 CA12 4450/4885CA1 4371/4885CA2 1828/4885

“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.