SCHEMBL4430294

SCHEMBL4430294

CCCCOCCOC=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.37
CES2 O00748 1/20 0.36
ATM Q13315 1/20 0.34
RARB P10826 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
GBA2 Q9HCG7 2/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL4429201 0.86
SCHEMBL4373344 0.86 MEN1 (0.33) MEN1KMT2A
SCHEMBL4366720 0.86 MEN1 (0.33) MEN1KMT2A
SCHEMBL4434922 0.83 TSHR (0.45) TSHRMEN1THRBHTTKMT2A
SCHEMBL4434920 0.83 TSHR (0.45) TSHRMEN1THRBHTTKMT2A
SCHEMBL22871750 0.82 TSHR (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL4428301 0.81 TSHR (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL4430804 0.79 CES2 (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL4425894 0.79 ALDH1A1 (0.44) TSHRTHRBALDH1A1
SCHEMBL28146384 0.79 TSHR (0.59) TSHRMEN1THRBHTTKMT2A

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 TSHR 3842/4885MEN1 4205/4885THRB 3363/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 TSHR 4266/4885MEN1 4199/4885THRB 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.