Sugi Predict

Sugi Predict / Compounds / SCHEMBL868511

SCHEMBL868511

SCHEMBL868511

C=CC(O)=CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.48
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ TERT O14746 3/20 0.38
▸ PTPN1 P18031 3/20 0.38
▸ PPARG P37231 3/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ FABP4 P15090 2/20 0.38
▸ TOP1 P11387 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL868510 1.00 EP300 (0.48) EP300TSHRALDH1A1TERTPTPN1
SCHEMBL31501776 0.98 TSHR (0.52) EP300TSHRTERTPTPN1PPARG
SCHEMBL5082315 0.93 — —
SCHEMBL5082317 0.93 — —
SCHEMBL6066079 0.78 TBXAS1 (0.32) —
SCHEMBL7646026 0.76 TSHR (0.48) EP300TSHRALDH1A1PTPN1PPARG
SCHEMBL3761603 0.76 TSHR (0.54) EP300TSHRALDH1A1MAPTBLM
SCHEMBL15365004 0.76 EP300 (0.54) EP300TSHRTERTPTPN1PPARG
SCHEMBL27655776 0.76 TSHR (0.54) EP300TSHRALDH1A1MAPTBLM
SCHEMBL15365002 0.76 EP300 (0.54) EP300TSHRTERTPTPN1PPARG

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175295-A1 DETERGENTS AND CLEANING AGENTS COMPRISING DISPERSIN AND FRAGRANCE HENKEL AG & CO. KGAA (DE) 2024-08-29 — — WO disclosed
US-11396489-B2 Cyclohexene propanal derivatives as perfuming ingredients FIRMENICH SA (CH) 2022-07-26 — — US disclosed
US-10980722-B2 Lily of the valley odorant FIRMENICH SA (CH) 2021-04-20 — — US disclosed
US-20210101860-A1 CYCLOHEXENE PROPANAL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2021-04-08 — — US disclosed
US-20200337962-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2020-10-29 — — US disclosed
EP-3681987-A1 LILY OF THE VALLEY ODORANT Firmenich SA (CH) 2020-07-22 — — EP disclosed
US-10597605-B2 Composition having a muguet odor FIRMENICH SA (CH) 2020-03-24 — — US disclosed
US-20190276769-A1 COMPOSITION HAVING A MUGUET ODOR FIRMENICH SA (CH) 2019-09-12 — — US disclosed
WO-2019141761-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2019-07-25 — — WO disclosed
US-9644171-B2 Cyclic acetals and ketals and use thereof as fragrance SYMRISE AG (DE) 2017-05-09 — — US disclosed
EP-2803666-B1 Cyclic acetals and ketals and their use as fragrance compounds SYMRISE AG (DE) 2016-04-27 — — EP disclosed
US-20160090548-A1 Cyclic Acetals and Ketals and Use Thereof as Fragrance SYMRISE AG (DE) 2016-03-31 — — US disclosed
WO-2014183883-A1 CYCLIC ACETALS AND KETALS AND USE THEREOF AS FRAGRANCE SYMRISE AG (DE) 2014-11-20 — — WO disclosed
EP-2803666-A1 Cyclic acetals and ketals and their use as fragrance compounds Symrise AG (DE) 2014-11-19 — — EP disclosed
EP-2287158-B1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles SYMRISE AG (DE) 2012-11-14 — — EP disclosed
US-20120077722-A1 AMBERGRIS FRAGRANCE SYMRISE AG (DE) 2012-03-29 — — US disclosed
EP-2287158-A1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles Symrise AG (DE) 2011-02-23 — — 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 (8 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-20210101860-A1 CYCLOHEXENE PROPANAL DERIVATIVES AS PERFUMING INGREDIENTS CYP1A1, TPH1, CYP51A1 EP300 1909/4885TSHR 4610/4885ALDH1A1 137/4885
US-20190276769-A1 COMPOSITION HAVING A MUGUET ODOR C5, OPRM1, CRAT EP300 606/4885TSHR 3254/4885ALDH1A1 805/4885
US-20160090548-A1 Cyclic Acetals and Ketals and Use Thereof as Fragrance KLK5, KCNK5, KLK1 EP300 782/4885TSHR 3243/4885ALDH1A1 253/4885
US-20120077722-A1 AMBERGRIS FRAGRANCE TRPA1, TAS2R31, TAS2R1 EP300 531/4885TSHR 4168/4885ALDH1A1 769/4885
US-10980722-B2 Lily of the valley odorant OXER1, OXGR1, OPRM1 EP300 2503/4885TSHR 3176/4885ALDH1A1 1662/4885
US-10597605-B2 Composition having a muguet odor C5, OPRM1, CRAT EP300 606/4885TSHR 3254/4885ALDH1A1 805/4885
US-20200337962-A1 LILY OF THE VALLEY ODORANT OXER1, OXGR1, OPRM1 EP300 2503/4885TSHR 3176/4885ALDH1A1 1662/4885
US-11396489-B2 Cyclohexene propanal derivatives as perfuming ingredients CYP1A1, TPH1, CYP51A1 EP300 1909/4885TSHR 4610/4885ALDH1A1 137/4885

“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.