SCHEMBL5078797

SCHEMBL5078797

C=C(C)C(=O)OC(OCCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5080667 0.85 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL27704229 0.84 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL239022 0.81 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL27929362 0.81 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL30921773 0.79 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL27719325 0.78 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL3360326 0.78 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL11133135 0.77 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL7626091 0.77 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL2952563 0.76 TSHR (0.42) TSHRTHRBALDH1A1

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-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-7294448-B2 Composition sensitive to visible light KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-13 US 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-20060003259-A1 Composition sensitive to visible light KYOWA HAKKO CHEMICAL CO., (JP) 2006-01-05 US disclosed
EP-1548498-A1 COMPOSITION SENSITIVE TO VISIBLE LIGHT Kyowa Hakko Chemical Co., Ltd. (JP) 2005-06-29 EP 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 3842/4885THRB 3363/4885ALDH1A1 1191/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 TSHR 4266/4885THRB 3460/4885ALDH1A1 902/4885

“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.