SCHEMBL3440752

SCHEMBL3440752

CC(C#N)=CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GRIK1 P39086 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
GPR52 Q9Y2T5 5/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14312304 1.00 ALDH1A1 (0.41) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL3440751 1.00 ALDH1A1 (0.41) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL9901355 0.81 GRIK1 (0.42) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL105976 0.78 TRPV1 (0.51) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL5879095 0.78 GRIK1 (0.41) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL1274448 0.75 GRIK1 (0.49) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL11517480 0.75 ALDH1A1 (0.45) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL6948490 0.75 ALDH1A1 (0.45) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL7168307 0.73 TDP1 (0.50) ALDH1A1GRIK1TDP1GPR52HPGD
SCHEMBL29105881 0.73 ALDH1A1 (0.53) ALDH1A1GRIK1TDP1GPR52TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616948-B2 Polyamide microcapsules FIRMENICH SA (CH) 2026-05-05 US disclosed
EP-4731617-A1 USE OF DIHYDROPYRAN DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2026-04-29 EP disclosed
EP-4728447-A1 ENVIRONMENTAL ATTRIBUTES FOR AROMA CHEMICAL BASF SE (DE) 2026-04-22 EP disclosed
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients BASF SE (DE) 2026-02-17 US disclosed
US-12544730-B2 Process for preparing microcapsules FIRMENICH SA (CH) 2026-02-10 US disclosed
US-12492355-B2 2,4-diethylocta-2,6-dienal and its use as aroma chemical BASF SE (DE) 2025-12-09 US disclosed
US-20250368600-A1 USE OF CYCLOHOMOGERANATE ESTERS AS AROMA CHEMICALS BASF SE (DE) 2025-12-04 US disclosed
US-12480075-B2 Perfume delivery system FIRMENICH SA (CH) 2025-11-25 US disclosed
US-20250345252-A1 COMPOSITE MICROCAPSULES FIRMENICH & CIE (CH) 2025-11-13 US disclosed
US-12467014-B2 Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals BASF SE (DE) 2025-11-11 US disclosed
WO-2021122674-A1 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2021-06-24 WO disclosed
WO-2021122684-A1 DODECANDIEN-1-OL AND DODECEN-1-OL OR MIXTURES THEREOF AS AROMA CHEMICALS BASF SE (DE) 2021-06-24 WO disclosed
EP-3838882-A1 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2021-06-23 EP disclosed
WO-2021037806-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2021-03-04 WO disclosed
EP-3757197-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 EP disclosed
WO-2020260165-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 WO disclosed
EP-2757905-A1 ACETALS AND KETALS AS FRAGRANCES AND FLAVORS Symrise AG (DE) 2014-07-30 EP disclosed
WO-2013041130-A1 ACETALS AND KETALS AS FRAGRANCES AND FLAVORS SYMRISE AG (DE) 2013-03-28 WO disclosed
US-7807616-B2 Geranonitrile substitute HENKEL AG & CO. KGAA (DE) 2010-10-05 US disclosed
US-20070265183-A1 fragrance mixture for laundering, care and/or cleaning component; producing a citrus odor; 3,7-dimethyloct-6-enenitrile mixtures; stability; nontoxic HENKEL AG & CO. KGAA (DE) 2007-11-15 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-12544730-B2 Process for preparing microcapsules ALB, S100A9, S100P ALDH1A1 4213/4885GRIK1 4040/4885TDP1 4687/4885
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients EBP, OR10J3, ADRA1D ALDH1A1 93/4885GRIK1 3791/4885TDP1 1118/4885
US-20250345252-A1 COMPOSITE MICROCAPSULES PLIN5, LIPA, PHOSPHO1 ALDH1A1 3819/4885GRIK1 3324/4885TDP1 3690/4885
US-20250368600-A1 USE OF CYCLOHOMOGERANATE ESTERS AS AROMA CHEMICALS DECR1, TECR, AKR1C2 ALDH1A1 132/4885GRIK1 548/4885TDP1 3281/4885
US-12616948-B2 Polyamide microcapsules HDHD5, DDC, USP39 ALDH1A1 4007/4885GRIK1 4774/4885TDP1 3062/4885

“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.