SCHEMBL3504292

SCHEMBL3504292

CC(C)C(=O)OC(C)(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5144290 0.88 NAAA (0.43) NAAAKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL19177231 0.84 CYP3A4 (0.43) NAAACYP2D6CYP2C9CYP2C19TSHR
SCHEMBL7817606 0.84 CYP3A4 (0.57) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL873285 0.83 CYP3A4 (0.55) CYP2D6CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL27277921 0.82 ATM (0.40) NAAAKMT2ACYP2C9CYP2C19TSHR
SCHEMBL31506757 0.82 NAAA (0.41) NAAATDP1ADRB2ADRB1ADRB3
SCHEMBL873380 0.81 ALDH1A1 (0.48) NAAAKMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL5145960 0.80 NPC1 (0.45) NAAACYP2C9CYP2C19TDP1ALDH1A1
SCHEMBL26697028 0.80 LMNA (0.49) NAAAKMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL24448626 0.80 ALDH1A1 (0.44) KMT2ACYP2C9CYP2C19TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
US-20250302014-A1 WASP PEST MANAGEMENT SYSTEM TONER DARADH (IE) 2025-10-02 US disclosed
EP-4518647-A1 WASP PEST MANAGEMENT SYSTEM Toner, Daradh (IE) 2025-03-12 EP disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
WO-2023214095-A1 WASP PEST MANAGEMENT SYSTEM TONER DARADH (IE) 2023-11-09 WO 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
US-20220370328-A1 Clear Nail Top Coat Compositions And Methods Of Making ILNP Cosmetics Inc. (US) 2022-11-24 US 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
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 WO disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 US 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
CN-106454047-A Industrial explosion-proof camera and work method thereof 江苏建筑职业技术学院 2017-02-22 CN 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 (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 NAAA 981/4885KMT2A 2697/4885CYP2D6 4485/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885KMT2A 2697/4885CYP2D6 4485/4885
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 NAAA 1190/4885KMT2A 2214/4885CYP2D6 3959/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 NAAA 748/4885KMT2A 2393/4885CYP2D6 3388/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D NAAA 1644/4885KMT2A 4022/4885CYP2D6 1698/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885KMT2A 2697/4885CYP2D6 4485/4885
US-20220370328-A1 Clear Nail Top Coat Compositions And Methods Of Making POLR1C, KAT2A, COL2A1 NAAA 2097/4885KMT2A 234/4885CYP2D6 2486/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 NAAA 1923/4885KMT2A 4178/4885CYP2D6 3702/4885

“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.