SCHEMBL21670665

SCHEMBL21670665

CC/C=C\CC/C=C/C(OC)OC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PPARA Q07869 1/20 0.31
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 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
SCHEMBL21967104 1.00 PTGS1 (0.32) PTGS1PPARAFFAR1ALDH1A1MAPT
SCHEMBL21670650 1.00 PTGS1 (0.32) PTGS1PPARAFFAR1ALDH1A1MAPT
SCHEMBL30354445 1.00 PTGS1 (0.32) PTGS1PPARAFFAR1ALDH1A1MAPT
SCHEMBL868995 0.80
SCHEMBL3366704 0.80
SCHEMBL21670643 0.79 THRB (0.32) PTGS1ALDH1A1
SCHEMBL3504051 0.79 THRB (0.32) PTGS1ALDH1A1
SCHEMBL21967082 0.79 THRB (0.32) PTGS1ALDH1A1
SCHEMBL21670606 0.79 THRB (0.32) PTGS1ALDH1A1
SCHEMBL5815237 0.76 MEN1 (0.38) PTGS1ALDH1A1MAPTPPARG

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
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
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-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 (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-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 PTGS1 2115/4885PPARA 4618/4885FFAR1 243/4885
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 PTGS1 205/4885PPARA 2252/4885FFAR1 1084/4885
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 PTGS1 2324/4885PPARA 4647/4885FFAR1 247/4885

“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.