SCHEMBL33222

SCHEMBL33222

C=C(CCCC)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 4/20 0.41
CA1 P00915 1/20 0.41
AKR1B1 P15121 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL8467773 0.93 CES2 (0.48) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL4783263 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL7024041 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL27709375 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL27729873 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL27709290 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL5318003 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL218025 0.91 CES2 (0.50) CES1CES2HSD17B10TDP1ALDH1A1
SCHEMBL887957 0.85
SCHEMBL19480 0.85 CES1 (0.41) CES1CES2ALDH1A1TP53TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3155084-B1 DISHWASHER DETERGENT FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2018-11-07 EP claimed
US-10920178-B2 Dishwasher detergent fragrance composition GIVAUDAN SA (CH) 2021-02-16 US disclosed
US-10695449-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 US disclosed
US-20190264143-A1 Dishwasher Detergent Fragrance Composition GIVAUDAN S.A. (CH) 2019-08-29 US disclosed
US-20190054198-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2019-02-21 US disclosed
EP-3155084-B1 DISHWASHER DETERGENT FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2018-11-07 EP disclosed
EP-3155084-A1 DISHWASHER DETERGENT FRAGRANCE COMPOSITION Givaudan S.A. (CH) 2017-04-19 EP disclosed
US-20170081619-A1 Dishwasher Detergent Fragrance Composition GIVAUDAN S.A. (CH) 2017-03-23 US disclosed
WO-2015189296-A1 DISHWASHER DETERGENT FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2015-12-17 WO disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20120207677-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2012-08-16 US disclosed
EP-2388017-A2 Catalytic radiofluorination The General Hospital Corporation (US) 2011-11-23 EP disclosed
US-20100215578-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2010-08-26 US disclosed
US-20100215578-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2010-08-26 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
WO-2008022319-A2 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2008-02-21 WO disclosed
US-6962767-B2 Acetal compound, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-11-08 US disclosed
US-20030153706-A1 Acetal compound, polymer, resist composition and patterning response SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-08-14 US disclosed
US-6515149-B2 Exposure to high energy radiation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-02-04 US disclosed
US-20020132970-A1 Acetal compound, polymer, resist composition and patterning response SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-09-19 US 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 (5 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-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 CES1 1822/4885CES2 437/4885HSD17B10 3609/4885
US-20150283273-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 CES1 1822/4885CES2 437/4885HSD17B10 3609/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 CES1 1822/4885CES2 437/4885HSD17B10 3609/4885
US-20100215578-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 CES1 1822/4885CES2 437/4885HSD17B10 3609/4885
US-20120207677-A1 CATALYTIC RADIOFLUORINATION ARSA, STS, KCNK18 CES1 608/4885CES2 202/4885HSD17B10 2541/4885

“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.