Sugi Predict

Sugi Predict / Compounds / SCHEMBL21670643

SCHEMBL21670643

SCHEMBL21670643

CC/C=C\CC/C=C/C(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21967082 1.00 THRB (0.32) THRBPTGS1NR1I2PGRADORA3
SCHEMBL21670606 1.00 THRB (0.32) THRBPTGS1NR1I2PGRADORA3
SCHEMBL4227890 1.00 THRB (0.32) THRBPTGS1NR1I2PGRADORA3
SCHEMBL3504051 1.00 THRB (0.32) THRBPTGS1NR1I2PGRADORA3
SCHEMBL3783493 0.85 THRB (0.38) THRBLMNA
SCHEMBL14639966 0.85 THRB (0.38) THRBLMNA
SCHEMBL21967108 0.83 LPAR2 (0.31) PTGS1
SCHEMBL21967101 0.83 LPAR2 (0.31) PTGS1
SCHEMBL872769 0.81 THRB (0.35) THRBLMNA
SCHEMBL872768 0.81 THRB (0.35) THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 — — EP claimed
EP-4551185-A1 FRAGRANCE COMPOSITIONS CONTAINING 2,3-BUTANEDIOL AND/OR 1,3-BUTANEDIOL Firmenich SA (CH) 2025-05-14 — — EP disclosed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 — — EP disclosed
WO-2024046768-A1 FRAGRANCE COMPOSITIONS CONTAINING 2,3-BUTANEDIOL AND/OR 1,3-BUTANEDIOL FIRMENICH SA (CH) 2024-03-07 — — WO disclosed
CN-110551009-B Process for the preparation of (2E, 6Z) -2, 6-nonenal and (2E) -cis-6, 7-epoxy-2-nonenal 信越化学工业株式会社 2023-10-20 — — CN disclosed
US-11530366-B2 Use of volatile compounds to modulate the perception of musk FIRMENICH SA (CH) 2022-12-20 — — US disclosed
EP-3608302-B1 PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND SHINETSU CHEMICAL CO (JP) 2021-10-20 — — EP disclosed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 — — US disclosed
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH, SA (CH) 2020-12-10 — — US disclosed
US-10781146-B2 Process for preparing a 5-alken-1-yne compound, (6Z)-1,1-dialkoxy-6-nonen-2-yne compound, (2E,6Z)-2,6-nonadienal and (2E)-cis-6,7-epoxy-2-nonenal, and 1,1-dialkoxy-6-nonen-2-yne compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-09-22 — — US disclosed
US-10662166-B2 Process for preparing (2E,6Z)-2,6-nonadienal and a process for preparing (2E)-cis 6,7-epoxy-2-nonenal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-05-26 — — US disclosed
CN-110818523-A Process for preparing 5-en-1-ynes and their derivatives and 1, 1-dialkoxy-6-nonene-2-ynes 信越化学工业株式会社 2020-02-21 — — CN disclosed
US-20200048161-A1 PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 — — US disclosed
EP-3608302-A1 PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND Shin-Etsu Chemical Co., Ltd. (JP) 2020-02-12 — — EP disclosed
CN-110551009-A Process for the preparation of (2E,6Z) -2, 6-nonadienal and (2E) -cis-6, 7-epoxy-2-nonenal SHINETSU CHEMICAL CO 2019-12-10 — — CN 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-11530366-B2 Use of volatile compounds to modulate the perception of musk TRPA1, CMPK1, PLK3 THRB 2965/4885PTGS1 2102/4885NR1I2 1051/4885
US-10781146-B2 Process for preparing a 5-alken-1-yne compound, (6Z)-1,1-dialkoxy-6-nonen-2-yne compound, (2E,6Z)-2,6-nonadienal and (2E)-cis-6,7-epoxy-2-nonenal, and 1,1-dialkoxy-6-nonen-2-yne compound CBR1, CBR3, DECR1 THRB 1975/4885PTGS1 2115/4885NR1I2 565/4885
US-10662166-B2 Process for preparing (2E,6Z)-2,6-nonadienal and a process for preparing (2E)-cis 6,7-epoxy-2-nonenal CYP2E1, CYP2A6, CYP2J2 THRB 3307/4885PTGS1 205/4885NR1I2 632/4885
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, CMPK1, PLK3 THRB 2965/4885PTGS1 2102/4885NR1I2 1051/4885
US-20200048161-A1 PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND CBR1, CBR3, DECR1 THRB 1956/4885PTGS1 2324/4885NR1I2 654/4885

“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.