SCHEMBL10807261

SCHEMBL10807261

CSC(C)CC(=O)C1=C(C)CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ HAO1 Q9UJM8 1/20 0.38
▸ RXRA P19793 6/20 0.36
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ RARA P10276 6/20 0.33
▸ RARB P10826 6/20 0.33
▸ RARG P13631 6/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ RXRB P28702 2/20 0.33
▸ RXRG P48443 2/20 0.33
▸ RORC P51449 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ HIF1A Q16665 2/20 0.33

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
SCHEMBL20446707 1.00 CYP1A2 (0.40) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL11860416 0.86 CYP1A2 (0.35) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL26733276 0.84 CYP1A2 (0.41) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL28250392 0.84 CYP1A2 (0.38) CYP1A2HAO1RXRARARARARB
SCHEMBL11316448 0.83 CYP1A2 (0.40) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL10946665 0.82 GRIK1 (0.34) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL11851829 0.82 CYP1A2 (0.39) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL14879927 0.81 CYP1A2 (0.38) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL16863841 0.78 CYP1A2 (0.36) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL14879860 0.77 CYP1A2 (0.37) CYP1A2HAO1RXRAGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4209025-A Process for augmenting or enhancing the flavor of tobacco using 1-(3-methylthio)butyryl)-2,6,6-trimethyl-cyclohexene and the 1,3-cyclohexadiene analog thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-24 — — US claimed
US-4156662-A INTENSIFIERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-29 — — US claimed
US-4154693-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-15 — — US claimed
US-4107209-A FLAVORING, AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US claimed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 — — EP disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 — — EP disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 — — CN disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 — — US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 — — US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 — — CN disclosed
US-4156662-A INTENSIFIERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-29 — — US disclosed
US-4156662-A INTENSIFIERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-29 — — US disclosed
US-4154693-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-15 — — US disclosed
US-4154693-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-15 — — US disclosed
US-4154693-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-15 — — US disclosed
US-4107209-A FLAVORING, AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US disclosed
US-4107209-A FLAVORING, AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US disclosed
US-4107209-A FLAVORING, AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — 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 (4 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885HAO1 3269/4885RXRA 178/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885HAO1 3269/4885RXRA 178/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885HAO1 3269/4885RXRA 178/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885HAO1 3269/4885RXRA 178/4885

“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.

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