SCHEMBL3505753

SCHEMBL3505753

CC(=O)C1(C)CC=C(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.34
CYP3A4 P08684 1/20 0.34
GLI2 P10070 1/20 0.34
FFAR3 O14843 1/20 0.30
STAT3 P40763 1/20 0.30
CYP19A1 P11511 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
SCHEMBL20446702 1.00 GLI1 (0.34) GLI1CYP3A4GLI2FFAR3STAT3
SCHEMBL1751400 0.84 FFAR3 (0.44) GLI1CYP3A4GLI2FFAR3STAT3
SCHEMBL18466440 0.84 FFAR3 (0.44) GLI1CYP3A4GLI2FFAR3STAT3
SCHEMBL25905863 0.79 SMN1; SMN2 (0.35) GLI1CYP3A4GLI2
SCHEMBL11145508 0.77 GLI1 (0.30) GLI1CYP3A4GLI2
Acetic Acid SCHEMBL16099584 0.76 GLI1 (0.34) GLI1CYP3A4GLI2FFAR3STAT3
SCHEMBL10937118 0.75 SLC6A4 (0.38)
SCHEMBL8914557 0.71 TSHR (0.36) CYP3A4STAT3
SCHEMBL23465807 0.69
SCHEMBL4837023 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114903038-B Plant source mosquito-repellent incense and preparation method thereof 福建省农业科学院植物保护研究所 2023-09-01 CN claimed
CN-114903038-A Plant source mosquito-repellent incense and preparation method thereof 福建省农业科学院植物保护研究所 2022-08-16 CN claimed
CN-110133140-B Component identification and bacteriostatic activity research of volatile oil of aerial parts of dictamnus dasycarpus 吉林化工学院 2022-07-12 CN claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
CN-113952266-B Preparation method and application of peony flower water 中科瑞莱茵(北京)生物科技有限公司 2023-10-13 CN 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
CN-114903038-B Plant source mosquito-repellent incense and preparation method thereof 福建省农业科学院植物保护研究所 2023-09-01 CN disclosed
CN-114903038-B Plant source mosquito-repellent incense and preparation method thereof 福建省农业科学院植物保护研究所 2023-09-01 CN disclosed
US-20220370535-A1 ANTIVIRAL ESSENTIAL OIL COMPOSITIONS ERDOGMUS, HÜSEYIN (TR) 2022-11-24 US disclosed
CN-114903038-A Plant source mosquito-repellent incense and preparation method thereof 福建省农业科学院植物保护研究所 2022-08-16 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
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 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 (8 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 GLI1 1770/4885CYP3A4 4332/4885GLI2 2599/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 GLI1 1770/4885CYP3A4 4332/4885GLI2 2599/4885
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 GLI1 353/4885CYP3A4 1676/4885GLI2 1371/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 GLI1 1749/4885CYP3A4 2865/4885GLI2 2247/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D GLI1 1893/4885CYP3A4 1242/4885GLI2 3692/4885
US-20220370535-A1 ANTIVIRAL ESSENTIAL OIL COMPOSITIONS CYP51A1, NR1H2, CYP2R1 GLI1 756/4885CYP3A4 90/4885GLI2 539/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 GLI1 1770/4885CYP3A4 4332/4885GLI2 2599/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 GLI1 4539/4885CYP3A4 4248/4885GLI2 4407/4885

“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.