Sugi Predict

Sugi Predict / Compounds / SCHEMBL3504512

SCHEMBL3504512

SCHEMBL3504512

CCC/C=C/COC(=O)CCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ DGKA P23743 2/20 0.58
▸ PAM P19021 2/20 0.53
▸ PRKCE Q02156 1/20 0.52
▸ PRKCQ Q04759 1/20 0.52
▸ PRKCD Q05655 1/20 0.52
▸ PRKCA P17252 1/20 0.52
▸ TERT O14746 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ FAAH O00519 2/20 0.50
▸ FABP4 P15090 2/20 0.50
▸ GMNN O75496 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL16927672 1.00 TSHR (0.64) TSHRDGKAPAMPRKCEPRKCQ
SCHEMBL18338956 1.00 TSHR (0.64) TSHRDGKAPAMPRKCEPRKCQ
SCHEMBL16927670 1.00 TSHR (0.64) TSHRDGKAPAMPRKCEPRKCQ
SCHEMBL830242 0.98 TSHR (0.61) TSHRDGKAPAMPRKCEPRKCQ
SCHEMBL830241 0.98 TSHR (0.61) TSHRDGKAPAMPRKCEPRKCQ
SCHEMBL15150914 0.97 DGKA (0.60) TSHRDGKAPRKCEPRKCQPRKCD
SCHEMBL9348765 0.93 TSHR (0.64) TSHRDGKAPRKCEPRKCQPRKCD
SCHEMBL15027037 0.93 TSHR (0.64) TSHRDGKAPRKCEPRKCQPRKCD
SCHEMBL10084760 0.93 TSHR (0.64) TSHRDGKAPRKCEPRKCQPRKCD
SCHEMBL15027031 0.93 TSHR (0.64) TSHRDGKAPRKCEPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 — — CN claimed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 — — CN disclosed
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
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 — — WO disclosed
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 — — CN disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 — — CN 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-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 — — US disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 — — CN disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 — — CN disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 — — US disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 — — US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 — — WO disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 — — US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 — — US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 — — US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 — — 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 (7 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 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 TSHR 2120/4885DGKA 88/4885PAM 1883/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 TSHR 2694/4885DGKA 1134/4885PAM 3286/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D TSHR 2063/4885DGKA 1830/4885PAM 4716/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 TSHR 2031/4885DGKA 429/4885PAM 3616/4885

“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.