Sugi Predict

Sugi Predict / Compounds / SCHEMBL1716822

SCHEMBL1716822

SCHEMBL1716822

O=C(O)/C=C/c1ccccc1CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 13/20 0.58
▸ PTGER2 P43116 12/20 0.58
▸ PTGER4 P35408 10/20 0.58
▸ PTGDR Q13258 5/20 0.56
▸ TBXA2R P21731 4/20 0.56
▸ PTGFR P43088 3/20 0.56
▸ PTGER1 P34995 5/20 0.55
▸ PTGIR P43119 2/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ TBXAS1 P24557 1/20 0.49
▸ PLA2G4A P47712 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL18076297 1.00 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL3251665 0.90 PTGER3 (0.64) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL22070625 0.84 PTGER3 (0.59) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL157606 0.84 PTGER3 (0.73) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL8985158 0.83 PTGER3 (0.62) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL10351248 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL3256824 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL10350742 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL28893816 0.83 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL5011869 0.82 PTGER3 (0.47) PTGER3PTGER2PTGER4PTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 — — EP claimed
EP-1967080-B1 Non-aldehyde cinnamon flavor and delivery systems therefor CADBURY ADAMS USA LLC (US) 2010-06-02 — — EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 — — EP claimed
US-11307508-B2 Electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJIFILM BUSINESS INNOVATION CORP. (JP) 2022-04-19 — — US disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 — — EP disclosed
US-20210302848-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2021-09-30 — — US disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 — — EP disclosed
US-20160346181-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-01 — — US disclosed
US-9440097-B2 Organic compounds GIVAUDAN SA (CH) 2016-09-13 — — US disclosed
EP-1968531-B1 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION GIVAUDAN SA (CH) 2014-12-31 — — EP disclosed
US-20120184513-A1 Organic Compounds GIVAUDAN SA (CH) 2012-07-19 — — US disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 — — EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 — — WO disclosed
EP-1968531-A2 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION Givaudan SA (CH) 2008-09-17 — — EP disclosed
WO-2007030961-A2 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION GIVAUDAN SA (CH) 2007-03-22 — — WO disclosed
EP-1172118-B1 Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same INT FLAVORS & FRAGRANCES INC (US) 2006-01-25 — — EP disclosed
US-20040059005-A1 Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same WHITE MICHAEL JOHN ROBERT (NL) 2004-03-25 — — US disclosed
US-20030156975-A1 Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same WHITE MICHAEL JOHN ROBERT (NL) 2003-08-21 — — US disclosed
US-6495512-B1 EMITTING AESTHETICALLY PLEASING AROMAS AND SIMULTANEOUSLY ELIMINATING SPECIFIC BACTERIA INCLUDING ESCHERICHIA COLI, ENTEROCOCCUS HIRAE, PSEUDOMONAS AERUGINOSA, STAPHYLOCOCCUS AUREUS AND SACCHAROMYCES CEREVISAE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-12-17 — — US disclosed
EP-1172118-A2 Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2002-01-16 — — 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 (3 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-20040059005-A1 Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same CUTA, SUCLG1, POLR1C PTGER3 2469/4885PTGER2 3125/4885PTGER4 1068/4885
US-20120184513-A1 Organic Compounds CYP1A1, CYP1B1, OXER1 PTGER3 884/4885PTGER2 706/4885PTGER4 809/4885
US-20160346181-A1 ORGANIC COMPOUNDS CYP1A1, CYP1B1, OXER1 PTGER3 884/4885PTGER2 706/4885PTGER4 809/4885

“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.